data_2jwu_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 2jwu _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.876 0.37 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.535 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.7 m-85 -100.44 132.85 45.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 18.7 mttp -115.89 136.49 52.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.476 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 29.2 tp -135.9 137.64 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 pt -134.56 126.78 48.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.0 mp -112.08 133.93 53.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -119.37 98.94 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.403 ' CD1' ' HB ' ' A' ' 38' ' ' THR . 47.5 mt -82.79 -178.86 7.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -73.13 -24.08 60.56 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.57 45.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.59 98.28 0.11 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -84.79 116.04 23.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -125.38 128.14 47.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -144.36 142.13 30.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.88 179.29 9.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 23.5 mm -137.6 130.5 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -133.41 136.96 45.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -89.49 144.47 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.85 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.21 -167.47 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.56 -46.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.388 . . . . 0.0 111.216 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -135.72 178.89 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.494 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -82.77 -40.2 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.07 -49.27 42.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 109.985 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -41.54 69.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.649 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.19 -53.79 38.87 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 26.1 tt0 -51.08 -34.81 31.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.276 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -47.94 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.112 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -75.08 -60.76 2.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.991 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.23 -45.38 44.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.916 -179.252 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -66.69 -41.19 88.46 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.927 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -29.88 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.65 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.43 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 5.2 t80 -75.71 -53.79 7.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -61.22 -27.2 68.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.4 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -84.58 -27.39 27.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.16 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 -52.51 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.318 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.02 -55.04 29.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 9' ' ' LEU . 33.6 p -129.86 -157.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.5 t -92.76 159.73 2.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.66 105.94 14.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.081 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.88 -124.08 4.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.992 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 17.4 m -61.51 159.24 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.669 0.271 . . . . 0.0 110.333 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -137.52 106.51 5.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.31 110.98 19.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.457 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -91.17 146.37 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.69 125.11 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.782 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.43 41.58 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -28.77 10.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.439 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 t -174.04 39.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER 59.95 73.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.43 140.13 53.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.185 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -118.94 131.5 56.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.499 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 m -127.01 120.74 29.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.1 p -138.49 132.43 41.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.416 ' CG2' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.13 157.69 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.169 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.025 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 14.7 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.873 0.368 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.579 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.8 m-85 -103.43 136.45 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -118.31 140.79 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.027 0.442 . . . . 0.0 111.632 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.492 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 31.9 tp -138.04 140.58 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.726 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.7 pt -134.68 120.25 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 3.2 mp -109.9 133.96 52.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -111.8 95.2 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.63 178.18 3.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -81.99 -21.5 37.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -133.31 26.76 4.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.959 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 178.14 162.98 0.65 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 111.315 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.95 110.35 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.46 140.13 40.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.023 0.439 . . . . 0.0 111.19 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.83 140.28 24.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.86 172.08 18.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.399 . . . . 0.0 111.337 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 21.7 mm -130.17 129.34 65.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HE3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.62 134.22 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.932 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 32.4 mt-10 -87.48 133.72 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.244 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -142.5 -172.87 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.598 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 m -105.13 -46.81 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.682 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -134.5 169.69 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -73.59 -44.33 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.63 -50.3 24.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.258 0.551 . . . . 0.0 109.762 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -41.34 72.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.432 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.48 -53.5 36.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 48.7 mt-10 -51.43 -35.06 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.396 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -52.3 43.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.931 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.442 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 10.1 t80 -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.622 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.46 -47.87 38.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.754 -179.202 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tttp -59.96 -34.75 73.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.667 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.435 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.0 t80 -78.36 -55.25 5.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.325 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -59.9 -21.4 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.602 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -85.92 -53.61 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.195 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.62 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 1.5 mmtt -70.85 -68.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.143 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.3 p -119.73 -155.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.69 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.92 175.71 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -128.24 131.14 48.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -136.26 -100.18 0.58 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.692 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.4 t -90.84 105.84 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.403 0.621 . . . . 0.0 111.051 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -81.1 144.66 31.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.379 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' THR . 64.6 p -156.42 114.69 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -89.85 154.12 20.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.41 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 125.52 43.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.16 24.42 4.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.397 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -28.68 28.67 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.227 0.537 . . . . 0.0 110.993 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -177.36 38.14 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.597 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.44 77.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.2 m -141.51 127.59 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.322 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -94.95 150.0 20.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.4 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' THR . 75.6 m -143.73 114.26 7.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.395 . . . . 0.0 111.286 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 8.7 p -132.93 151.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.735 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.408 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -140.97 175.48 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.886 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.532 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.5 m . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.876 0.369 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.579 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.4 m-85 -102.03 132.41 47.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -105.85 138.77 41.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.917 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 57.6 tp -138.38 135.59 35.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.584 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.2 pt -133.69 119.75 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.3 mp -108.05 133.72 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.64 102.95 9.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' CD1' ' CG2' ' A' ' 38' ' ' THR . 13.1 mt -85.91 179.32 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.37 -1.45 58.06 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.339 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -118.74 -41.15 2.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 111.059 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.5 166.73 26.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 118.63 34.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -115.73 138.85 50.71 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.69 146.23 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.87 176.28 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 111.337 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 mm -133.62 138.58 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.1 mmpt? -126.96 173.17 9.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.55 148.42 39.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -169.65 -170.0 0.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.231 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.0 t -124.08 -36.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.451 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -134.61 163.8 28.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' CA ' ' OH ' ' A' ' 3' ' ' TYR . . . -77.71 -32.45 52.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.267 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.01 49.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.32 0.581 . . . . 0.0 109.698 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.419 ' HB ' ' CD2' ' A' ' 20' ' ' LEU . 5.0 m -69.87 -43.19 72.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.776 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.35 -51.85 56.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.7 tt0 -51.62 -34.63 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.489 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -71.32 -46.87 59.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -75.99 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.23 -41.66 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.68 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.3 ttmt -69.61 -34.44 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -26.17 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 37' ' ' LYS . 5.7 t80 -79.35 -55.99 4.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' CB ' HD22 ' A' ' 7' ' ' LEU . . . -56.42 -27.02 55.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.61 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -85.9 -45.02 11.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 0.0 111.344 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.32 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.602 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -79.56 -72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.3 -179.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.407 ' CG2' ' CD1' ' A' ' 9' ' ' LEU . 26.1 p -105.29 -84.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.047 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 m -161.83 175.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.401 . . . . 0.0 111.176 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -115.32 105.88 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.42 -134.36 4.55 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.358 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.427 ' CG2' ' CG2' ' A' ' 55' ' ' THR . 29.0 m -61.36 158.76 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.628 0 CA-C-N 116.895 0.348 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -135.07 151.16 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.158 0.504 . . . . 0.0 111.629 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.42 144.54 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.212 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -124.98 149.29 47.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.335 . . . . 0.0 111.536 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -118.79 127.76 53.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.64 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -95.24 26.65 3.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.161 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -94.11 -31.22 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.86 32.84 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 12.8 mtmt 59.7 81.86 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.4 m -135.0 141.95 46.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -112.88 152.17 29.59 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -143.05 119.51 10.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.906 0.384 . . . . 0.0 111.054 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 3.8 p -138.35 136.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.427 ' CG2' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.09 167.49 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.112 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.737 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.735 0.302 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.548 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.9 m-85 -100.89 142.2 32.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.709 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.17 132.66 56.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.091 0.472 . . . . 0.0 111.617 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 27.0 tp -133.98 133.19 41.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 pt -129.49 122.89 56.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.3 mp -108.92 122.44 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.98 105.2 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 mt -92.98 169.74 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.665 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 54.45 3.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.029 0.443 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -176.36 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.98 157.54 40.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -103.85 118.14 35.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -115.71 117.97 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -130.22 149.86 51.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 168.06 28.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -129.26 137.05 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 4.8 mmpt? -122.88 173.13 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.79 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -120.53 115.17 22.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.84 -168.86 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -118.79 -47.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.58 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -123.75 164.33 19.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.67 -41.0 63.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.04 -49.7 40.01 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.182 0.515 . . . . 0.0 109.81 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -70.23 -42.22 72.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.565 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.62 -52.68 45.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.19 -35.71 37.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.425 178.322 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -50.95 66.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.706 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.7 -63.62 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.05 -50.89 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.89 -179.613 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 2.4 tttt -60.69 -42.09 96.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.705 0.288 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.68 69.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.2 -57.9 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -56.91 -31.5 64.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.323 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -73.17 -36.02 66.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.98 -54.88 3.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.494 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -56.51 -73.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -107.77 -158.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.631 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.53 158.9 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.046 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.87 117.07 31.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.052 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.41 -142.02 5.05 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.64 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 10.1 p -61.24 137.13 23.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 120.922 0.391 . . . . 0.0 110.963 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CD1' HG23 ' A' ' 54' ' ' VAL . 34.8 m95 -109.74 133.34 53.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.393 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.93 108.33 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.234 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -89.84 148.46 23.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 111.401 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -119.47 122.12 40.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.76 36.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -98.66 -28.34 13.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.755 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -174.15 37.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.4 76.7 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.75 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.5 m -140.21 124.64 17.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.352 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 27' ' ' GLU . 40.1 m-85 -94.04 150.21 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.474 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -143.83 94.64 2.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 8.0 p -116.41 137.57 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.721 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.14 169.48 17.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.983 0.421 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.566 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.2 m-85 -101.57 134.59 44.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.73 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -111.74 141.42 45.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 111.507 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.49 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 24.7 tp -137.75 142.9 40.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.4 tt -130.08 127.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.648 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mp -124.34 125.76 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.839 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -108.98 95.93 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.1 mt -82.35 172.4 13.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.712 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -33.8 76.47 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.248 0.547 . . . . 0.0 111.031 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -69.44 -52.1 30.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.7 173.8 8.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -89.36 123.35 33.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.33 133.71 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -127.97 154.7 45.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.89 166.1 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.276 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.89 125.89 41.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.87 136.65 50.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.714 -179.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.93 134.79 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.003 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -138.91 -178.51 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.2 m -90.98 -45.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.304 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.87 -171.68 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.504 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -85.4 -45.96 11.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.271 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.59 -49.76 18.42 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.345 0.593 . . . . 0.0 110.007 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -70.55 -40.21 73.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.513 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.82 -54.06 33.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.8 mt-10 -51.62 -33.89 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.477 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.54 -46.8 58.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -74.61 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.891 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.87 -38.62 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.633 -179.269 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -70.1 -37.6 75.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 0.0 110.371 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.86 66.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.657 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 9.5 t80 -80.27 -57.33 3.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -59.64 -29.0 67.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.451 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -81.7 -29.16 33.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.54 -56.86 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.382 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -57.96 -60.96 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.594 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.5 p -113.38 -156.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 t -100.44 160.73 3.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -97.98 118.34 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.263 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.77 -138.27 4.16 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.816 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 19.1 m -61.46 155.44 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -129.4 152.16 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.99 0.424 . . . . 0.0 111.678 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.46 162.53 39.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.087 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -138.28 148.91 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.087 0.47 . . . . 0.0 111.449 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -123.44 126.18 46.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.496 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.46 25.1 3.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.339 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -173.53 36.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 O-C-N 123.467 0.479 . . . . 0.0 110.726 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.45 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.663 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.4 m -142.24 127.18 18.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 111.451 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -96.23 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.9 m -140.39 116.97 10.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 3.8 p -138.47 140.89 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.629 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -141.4 149.76 41.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.246 . . . . 0.0 111.174 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--O 1.254 1.312 0 CA-C-O 117.902 -1.046 . . . . 0.0 110.714 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.1 t . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.854 0.359 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.505 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.0 m-85 -100.88 142.11 32.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 43.7 mttt -119.97 132.71 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.282 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.477 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 42.6 tp -131.46 134.82 46.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 tt -129.82 134.2 63.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 5.0 mp -125.66 134.15 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -124.75 111.97 16.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -104.71 174.6 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 2.86 39.29 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -167.6 32.63 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.011 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.88 99.13 0.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.922 0.392 . . . . 0.0 111.404 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 123.33 39.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.879 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -137.59 132.15 32.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.947 0.403 . . . . 0.0 111.11 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.14 132.71 25.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.496 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.82 174.17 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 13.2 mm -133.65 145.66 33.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -127.32 173.11 10.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 5.4 mt-10 -120.66 116.31 25.05 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -138.17 -170.83 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.729 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.85 -47.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.632 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -126.9 175.27 8.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.926 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -81.44 -35.61 30.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.92 -50.24 47.08 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.263 0.554 . . . . 0.0 109.89 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -71.9 -42.13 67.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.758 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.67 -53.95 33.35 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.1 mt-10 -50.85 -35.37 32.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.35 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -48.68 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.998 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -75.37 -63.15 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.534 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -46.27 -39.9 10.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.133 -179.501 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 13.3 tttt -72.17 -44.24 63.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.821 0.343 . . . . 0.0 110.849 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -28.41 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -77.07 -55.35 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' HA ' HD22 ' A' ' 7' ' ' LEU . . . -65.22 -22.1 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.63 -38.12 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 -63.87 1.17 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.538 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.33 -33.03 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.86 -155.29 0.69 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.914 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.23 176.94 4.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.87 109.83 22.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.51 -147.44 6.98 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.422 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.44 106.05 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.385 0.612 . . . . 0.0 110.906 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.419 ' CD1' HG21 ' A' ' 54' ' ' VAL . 15.5 m95 -78.72 151.77 31.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.591 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.48 145.07 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.46 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 40.7 t80 -131.72 155.71 47.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.415 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -126.4 122.79 36.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.499 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -95.03 35.22 1.29 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -108.93 -32.03 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.315 0.578 . . . . 0.0 110.933 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.1 p -159.88 29.18 0.18 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.4 75.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.717 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.405 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -126.95 141.4 51.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 111.418 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 12.0 m-85 -119.97 145.09 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.486 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -143.73 121.38 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 9.9 p -138.4 126.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.061 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.1 156.96 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.834 179.745 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.82 0.343 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.497 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 3.8 m-85 -106.85 129.0 54.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -108.26 143.02 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.485 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 52.4 tp -135.98 142.83 44.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.89 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 tt -134.55 132.09 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.576 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.7 mp -122.4 133.85 54.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.223 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -126.24 84.5 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.59 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' CD1' ' CG ' ' A' ' 11' ' ' GLN . 2.0 pt? -96.98 164.5 12.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -29.05 19.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.828 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.407 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 19.1 mm-40 -64.53 -48.75 73.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.665 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 179.2 -172.71 0.16 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -110.97 110.75 21.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.787 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -125.89 146.24 49.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -147.73 161.53 41.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.58 176.24 12.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -134.13 133.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mmpt? -125.56 173.03 9.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -125.18 132.31 53.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' CD2' ' CG2' ' A' ' 25' ' ' THR . 1.9 mt -156.46 -167.82 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.58 -61.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.44 177.37 4.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.403 . . . . 0.0 110.977 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.79 -33.3 27.32 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.427 ' CG2' ' CD2' ' A' ' 20' ' ' LEU . 2.8 m -71.42 -43.82 66.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.733 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.01 -52.83 39.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 4.4 tm-20 -51.78 -34.87 41.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.276 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -48.89 65.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.058 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.99 -60.86 2.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.829 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.19 -45.67 44.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.777 -179.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.0 tmtm? -66.1 -32.23 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -30.9 70.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.66 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -74.89 -54.45 7.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.515 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -59.29 -26.94 65.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.369 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -79.31 -28.94 42.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.09 -62.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -62.76 -58.58 6.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.407 ' CG2' ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -102.36 -155.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.91 168.8 7.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.817 0.341 . . . . 0.0 110.699 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -96.68 106.53 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.54 -127.27 2.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.422 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 29.0 t -61.81 160.1 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -146.14 129.13 16.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.98 0.419 . . . . 0.0 111.249 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.11 116.66 6.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.609 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -91.19 151.56 20.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.31 85.15 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.676 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -20.33 48.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -52.04 -32.68 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -154.54 25.16 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.874 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.73 75.45 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.19 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.2 m -141.84 123.54 15.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -90.52 148.92 22.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 m -136.71 122.32 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 2.4 p -138.54 146.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -141.14 134.69 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.744 0.307 . . . . 0.0 110.948 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.765 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.995 0.426 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 5.0 m-85 -104.24 132.36 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.98 135.65 51.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 111.488 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.48 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 41.8 tp -126.98 142.95 51.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.989 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 tt -134.44 129.22 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.588 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.4 mp -123.39 128.9 50.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -104.0 92.09 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -82.06 159.95 23.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.62 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -64.64 -31.75 73.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.093 0.473 . . . . 0.0 111.511 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -79.02 -48.96 13.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.829 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.74 175.11 14.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 118.57 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -115.1 128.91 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.53 140.03 25.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.26 175.1 10.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.7 tp -121.5 147.03 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 1.1 mmtp -133.38 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.074 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.02 110.74 15.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.165 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 2.1 mm? -131.71 -174.8 3.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 m -109.69 -46.6 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.44 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -127.64 168.16 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . . . -75.84 -39.64 56.28 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.178 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.3 -48.75 45.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 109.888 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -71.33 -41.78 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.634 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.54 -54.15 30.38 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 12.8 tt0 -51.19 -34.64 32.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.549 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -49.7 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.238 0.542 . . . . 0.0 110.142 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -71.99 -60.54 2.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.595 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.514 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.44 -48.97 47.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.748 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 8.5 ttpt -61.89 -34.76 76.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.664 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -28.28 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 6.9 t80 -79.2 -55.67 4.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -58.83 -23.43 60.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.49 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -84.26 -36.54 22.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.59 -59.29 2.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.296 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 2.4 mptp? -55.97 -43.44 77.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.3 p -143.06 -155.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.671 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 m -102.64 174.04 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.36 123.34 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.51 -120.12 2.26 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.453 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.2 t -69.23 112.68 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.306 0.574 . . . . 0.0 111.11 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -89.8 150.78 22.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.359 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.75 109.33 2.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.13 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -89.75 146.31 24.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.2 119.94 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.43 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.53 35.27 1.12 Allowed 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.249 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -100.89 -31.58 11.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.476 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -162.91 30.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.63 80.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.4 m -142.66 134.81 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 111.394 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -104.77 131.95 51.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' THR . 63.8 m -118.84 118.13 30.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 11.1 p -138.33 142.42 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -141.48 172.65 12.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.881 -179.833 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 11.8 t . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.71 0.29 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.578 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 3.4 m-85 -106.3 135.67 47.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.732 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 6.9 mtmm -111.74 139.62 47.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.601 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.487 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 55.4 tp -137.88 136.04 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.563 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 pp -134.53 121.65 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.9 mp -104.85 130.97 52.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.78 100.63 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.68 167.93 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -82.47 -21.53 35.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 111.585 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -96.67 -37.19 10.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.385 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.03 -178.91 6.64 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.21 111.57 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.736 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.81 126.03 52.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -142.99 137.88 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.783 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.08 177.77 10.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.998 0.427 . . . . 0.0 111.469 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 30.7 mm -132.79 139.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.96 172.93 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.754 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.1 OUTLIER -120.3 124.85 46.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mt -141.21 -172.87 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.66 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.4 -34.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 111.661 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.34 179.87 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.911 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.416 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -83.32 -43.97 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.345 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.5 -49.56 25.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.335 0.588 . . . . 0.0 110.012 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -71.67 -40.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.429 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.16 -53.53 41.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.3 tt0 -51.15 -35.42 35.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.319 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -50.65 63.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.994 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -71.62 -62.04 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.714 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.04 -48.67 32.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.99 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -61.46 -40.46 94.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -27.22 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 7.7 t80 -78.06 -56.89 4.12 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' CB ' HD22 ' A' ' 7' ' ' LEU . . . -55.78 -31.96 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -79.68 -29.29 40.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.592 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.6 -53.58 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.571 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 4.9 mptt -57.2 -64.94 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.616 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.83 -86.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.591 0.234 . . . . 0.0 111.628 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -176.01 162.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.045 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.71 144.12 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.144 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.52 -129.75 1.08 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.134 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 22.9 t -61.46 142.37 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -127.05 145.01 50.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.198 0.523 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.44 132.58 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.036 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -110.95 147.48 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.458 . . . . 0.0 111.509 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -116.27 124.95 51.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.465 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.91 23.72 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.362 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.71 -35.62 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -164.72 32.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 61.16 82.24 0.17 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -143.26 130.12 20.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.481 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -100.19 150.79 22.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.438 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -143.96 106.18 4.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.922 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.6 p -118.64 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.5 166.56 22.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.029 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.928 0.394 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.2 m-85 -101.0 133.88 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -114.76 135.53 54.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.983 0.42 . . . . 0.0 111.574 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.471 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 20.0 tp -137.95 133.85 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.77 131.04 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 3.8 mp -118.17 134.03 55.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -120.39 130.34 54.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.583 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' A' ' 38' ' ' THR . 51.9 mt -120.6 -179.0 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.689 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -97.89 24.74 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -152.45 -45.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.6 145.77 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -117.31 124.38 48.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.181 0.515 . . . . 0.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -126.43 136.79 53.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.814 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -145.36 142.23 29.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.85 178.94 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -138.21 133.79 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -133.72 137.53 45.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -92.58 138.76 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.002 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -142.81 -176.41 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.09 -45.76 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.459 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.58 -177.86 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.417 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -83.26 -41.45 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.185 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.4 26.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.919 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -69.94 -41.36 74.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.72 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.1 -54.64 27.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -49.86 -35.09 22.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.583 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -51.02 40.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -71.1 -59.26 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.116 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.35 -52.61 44.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.936 -179.052 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.13 -32.25 70.83 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.13 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.787 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.446 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 3.1 t80 -72.21 -49.63 33.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.405 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' CB ' HD23 ' A' ' 7' ' ' LEU . . . -63.8 -25.64 68.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.567 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.75 -27.81 24.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.23 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.75 -40.86 11.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.38 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 4.7 mmpt? -73.52 -67.93 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.404 ' HB ' HD12 ' A' ' 9' ' ' LEU . 61.6 p -109.11 -158.85 0.66 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -98.22 172.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.775 0.321 . . . . 0.0 110.993 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -100.83 123.28 44.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -138.52 -134.65 3.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 27.3 m -61.76 157.44 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.536 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -136.36 109.49 7.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 109.56 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.354 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -89.95 156.73 18.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.431 . . . . 0.0 111.313 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.57 114.38 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.85 28.38 2.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -103.76 -28.57 11.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.162 0.506 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -158.21 27.75 0.25 Allowed 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.802 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.81 77.76 0.2 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.2 m -142.12 127.06 18.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 111.298 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -96.56 146.12 25.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.36 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.6 m -140.19 107.85 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.338 . . . . 0.0 111.393 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 2.1 p -122.59 140.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.437 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 2.2 m -134.95 152.3 51.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.688 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.732 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.538 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.5 m-85 -101.25 130.32 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -112.56 138.84 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.231 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.489 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 41.6 tp -136.4 132.35 35.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 pt -130.23 122.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 4.1 mp -107.23 133.65 51.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.93 70.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.649 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 11' ' ' GLN . 1.9 pt? -78.24 170.03 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -50.75 11.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HG2' ' CD1' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -59.07 -17.89 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -178.8 -168.0 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.191 0.52 . . . . 0.0 111.829 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -133.33 106.92 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -107.71 133.51 52.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.91 0.386 . . . . 0.0 111.395 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -147.88 140.69 24.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.7 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.91 -178.3 7.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.956 0.408 . . . . 0.0 111.611 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.97 132.42 28.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -135.2 136.72 42.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -89.79 152.1 21.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CD2' ' CG2' ' A' ' 25' ' ' THR . 1.0 OUTLIER -163.35 -166.62 1.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.49 -48.21 10.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -135.31 -177.24 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' CA ' ' OH ' ' A' ' 3' ' ' TYR . . . -85.44 -36.51 20.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.0 -50.97 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.211 0.529 . . . . 0.0 109.613 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.423 ' CG2' ' CD2' ' A' ' 20' ' ' LEU . 2.6 m -70.79 -43.03 69.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.635 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.2 -53.22 37.02 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.4 tt0 -51.12 -34.94 32.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.452 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -68.13 -46.75 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.152 0.501 . . . . 0.0 110.181 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -76.75 -61.15 2.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.756 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.0 -37.41 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.852 -179.264 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 17.3 tttm -74.64 -34.32 62.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 110.405 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.46 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -79.76 -55.0 5.31 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.432 ' CB ' HD22 ' A' ' 7' ' ' LEU . . . -57.32 -35.82 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.6 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -76.73 -38.34 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.195 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.58 5.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.486 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -70.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.308 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -156.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 t -109.97 162.7 7.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 120.699 0.285 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.0 106.07 18.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.996 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.74 -134.9 4.09 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.395 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 18.0 t -61.7 155.52 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.935 0.398 . . . . 0.0 111.573 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.48 155.26 31.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.254 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 63.5 t80 -130.7 155.21 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 111.292 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -121.26 122.98 41.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.26 22.45 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -33.24 14.36 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.37 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -164.16 31.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 1.9 mttp 59.69 85.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.6 m -141.31 128.14 20.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.463 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 36.0 m-85 -100.39 150.31 22.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.445 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.92 120.47 11.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 3.8 p -133.41 122.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 t -119.76 168.57 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.768 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.888 0.375 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.516 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.2 m-85 -100.8 140.8 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -117.81 132.3 56.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.355 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.464 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 42.5 tp -126.4 135.67 51.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.67 133.85 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mp -128.77 133.83 48.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -114.33 119.15 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 mt -101.69 -178.89 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -91.44 49.48 1.6 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.14 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.38 146.39 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.76 123.77 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.629 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.08 138.7 54.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.26 142.59 30.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.669 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.18 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.76 134.48 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 6.9 mmpt? -126.27 173.21 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.08 123.63 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 25' ' ' THR . 2.3 mt -142.5 -173.45 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.937 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.98 -47.55 10.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 120.804 0.335 . . . . 0.0 111.537 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.09 -173.86 3.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.295 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.49 -31.86 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.708 0.29 . . . . 0.0 110.71 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.85 73.57 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.292 0.568 . . . . 0.0 109.603 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.473 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 2.8 t -70.53 -43.28 69.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.792 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.78 -56.61 14.41 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 17.5 tt0 -46.53 -36.48 6.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.704 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -51.96 38.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.032 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 t80 -70.95 -59.64 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.127 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -50.92 -50.03 58.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.032 -179.097 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 10.3 tttt -62.48 -30.57 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.579 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -29.04 64.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 8.1 t80 -74.99 -56.66 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -57.97 -21.84 46.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.477 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -83.73 -36.3 23.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 111.279 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 -22.82 19.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.731 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -99.94 -69.44 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.337 -179.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.37 -155.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.899 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.61 167.78 7.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.662 0.268 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.8 111.6 23.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.86 -139.15 5.44 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.033 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -74.82 100.41 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 CA-C-O 121.357 0.598 . . . . 0.0 110.98 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.421 ' CD1' HG22 ' A' ' 54' ' ' VAL . 23.8 m95 -74.43 149.13 40.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.682 -179.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.438 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.6 168.39 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.033 179.265 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -139.94 145.71 38.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.533 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -116.28 129.59 56.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.13 18.53 9.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.539 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -79.66 -31.97 41.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 110.983 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.48 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.51 79.66 0.22 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.4 m -135.64 124.45 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.529 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -90.65 123.54 34.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.438 ' CG2' ' HB ' ' A' ' 44' ' ' THR . 9.8 t -121.73 118.7 29.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 110.79 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 10.1 p -138.37 140.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.73 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.413 ' N ' HG23 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -140.73 153.71 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.949 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.928 0.394 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.545 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.1 m-85 -100.72 137.41 39.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 23.4 mtmt -114.29 131.43 56.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 0.0 111.404 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.491 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 27.4 tp -128.4 138.22 52.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 pt -134.69 118.09 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.2 mp -108.82 133.95 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -122.39 100.78 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.78 178.01 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.794 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -79.7 -27.32 40.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -86.24 -49.1 7.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 149.57 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.12 50.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.503 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.28 144.95 46.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -139.15 141.98 38.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.746 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.83 165.65 35.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.467 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 30.4 mm -123.64 139.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.21 169.81 16.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -102.82 137.6 40.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.416 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 HD13 HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -147.85 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.2 t -109.82 -33.76 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.89 178.08 8.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.416 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -84.04 -47.19 11.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.181 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.25 -49.59 17.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 HD13 ' A' ' 20' ' ' LEU . 5.8 m -70.41 -41.29 73.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.508 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -50.25 -54.98 17.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.16 -34.55 31.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.531 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -49.92 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.051 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.32 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.8 -53.29 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.616 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -31.73 70.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.515 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -31.0 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 5.6 t80 -75.81 -51.29 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.471 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -63.14 -25.16 68.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.512 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -79.11 -42.67 25.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.078 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.34 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 3.8 mptt -61.49 -69.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -108.67 -155.07 0.55 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.6 m -108.16 174.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-O 120.891 0.377 . . . . 0.0 111.076 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.99 128.6 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.17 -143.07 4.08 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.373 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 30.7 m -61.64 132.49 27.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.085 0.469 . . . . 0.0 110.4 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -109.59 148.37 31.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.457 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' THR . 53.4 p -154.65 111.26 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.077 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 65.0 t80 -89.73 154.61 19.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.428 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -124.06 128.69 49.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.677 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.03 27.91 3.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -86.02 -35.06 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.336 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.24 39.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.0 mttt 61.57 79.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.659 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 m -138.47 126.32 22.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.48 . . . . 0.0 111.376 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 15.5 m-85 -97.38 146.91 24.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.154 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' THR . 78.9 m -143.73 109.89 5.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 111.044 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 10.1 p -128.22 140.95 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.94 170.24 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.972 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.5 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.775 0.321 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.547 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 3.2 m-85 -102.1 135.41 43.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.29 135.86 53.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.43 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 49.6 tp -133.59 137.24 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.804 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 pt -134.62 120.3 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.5 mp -110.13 129.08 55.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.61 97.02 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.43 HD13 ' HB ' ' A' ' 38' ' ' THR . 1.4 pt? -100.75 -179.1 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -75.76 -57.17 4.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.428 ' HG2' HD11 ' A' ' 9' ' ' LEU . 5.9 pt20 -60.7 -18.0 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -179.17 -170.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 112.227 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -133.38 110.64 10.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -107.54 129.57 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.935 0.397 . . . . 0.0 111.331 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.77 140.79 24.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.521 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.9 175.81 13.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 111.41 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.63 134.64 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -128.68 173.2 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.918 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.57 137.75 53.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.698 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 25' ' ' THR . 2.6 mm? -146.92 -177.03 5.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.7 t -100.88 -30.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.001 0.429 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.25 177.48 11.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.135 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -71.87 -31.5 66.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.692 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -52.0 60.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.068 0.461 . . . . 0.0 109.783 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.429 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 1.6 t -71.19 -38.25 72.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.088 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -54.94 -56.61 17.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.0 mt-10 -48.12 -35.19 11.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.874 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -72.48 -46.82 53.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.306 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -75.27 -57.25 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -54.65 -40.59 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.059 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 14.5 tttt -69.49 -43.88 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.714 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -32.84 73.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.026 0.441 . . . . 0.0 110.339 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 5.4 t80 -69.04 -53.61 19.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.259 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.414 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -63.17 -27.06 69.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.61 -36.05 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.68 -28.04 16.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.599 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' CE ' ' CE2' ' A' ' 33' ' ' TYR . 2.1 mptp? -67.18 -79.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.505 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.43 ' HB ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -110.32 -94.92 0.42 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.39 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -152.09 164.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.787 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.8 105.88 18.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.37 -134.62 4.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.187 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 29.1 m -61.52 153.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.237 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -132.42 133.24 43.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.99 114.54 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.404 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -93.96 151.38 19.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.493 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.36 86.42 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.576 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -20.31 40.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -32.61 9.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.585 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.77 29.18 0.12 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 4.3 mttp 55.73 81.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.055 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.0 m -144.71 121.82 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.255 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -92.61 148.58 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.1 m -142.26 107.16 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 2.6 p -123.95 138.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.402 ' CG2' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -140.98 172.26 12.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.221 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.92 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.725 0.298 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.629 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.6 m-85 -103.6 132.07 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -112.88 140.07 47.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 111.661 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 43.1 tp -138.01 135.96 36.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.829 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.4 pt -129.4 122.94 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.555 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.6 mp -113.41 133.98 54.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.961 0.41 . . . . 0.0 111.301 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' HB ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -122.82 68.07 0.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -76.32 152.92 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 -179.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -42.04 39.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 4.9 tt0 -58.11 -36.71 73.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.91 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 177.69 173.33 0.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -107.6 118.43 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -121.33 145.66 47.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -147.71 144.08 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.78 175.1 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.359 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.83 126.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.71 136.44 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.668 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 152.32 21.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.68 -172.95 4.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.784 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.57 -33.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -153.21 178.18 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.437 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -79.09 -48.69 13.89 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.74 -50.82 13.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.225 0.536 . . . . 0.0 109.814 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -68.69 -40.89 79.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.461 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.08 -50.81 60.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -53.67 -34.35 58.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.542 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -67.28 -47.91 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 109.974 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -75.05 -62.97 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.134 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -47.52 -44.75 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.889 -179.248 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -66.37 -43.61 85.44 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.751 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -23.62 67.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.441 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.5 t80 -76.36 -53.77 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.416 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -64.39 -29.28 70.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -78.11 -47.47 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.302 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 -53.52 7.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.47 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -57.73 -70.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.448 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.6 p -104.85 -157.11 0.6 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 m -96.44 174.36 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -102.4 136.99 41.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.47 -145.39 4.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 8.9 p -61.31 159.16 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 120.545 0.212 . . . . 0.0 110.447 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -132.68 137.0 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.002 0.43 . . . . 0.0 111.57 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.83 153.54 41.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.188 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -129.75 148.01 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 111.393 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -117.19 123.71 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.481 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.06 25.96 3.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.453 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.61 -33.76 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.41 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -164.94 32.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.298 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.6 mttp 60.64 84.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -142.54 129.47 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.399 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -96.13 154.37 17.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -143.7 108.96 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.375 . . . . 0.0 111.625 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 2.8 p -127.88 133.95 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.239 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 8' ' ' ASN . 0.6 OUTLIER -139.5 155.27 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 0.0 111.319 -179.602 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.915 -179.755 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.813 0.34 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.551 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.5 m-85 -101.73 136.33 41.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.651 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.13 134.26 54.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 111.625 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 47.5 tp -130.03 140.34 50.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 tt -125.9 133.11 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.632 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.9 mp -127.19 133.97 50.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.07 93.8 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.554 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 mt -90.7 169.44 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -30.07 64.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.072 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -78.4 -56.15 4.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.776 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.02 163.07 40.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -92.21 124.3 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -110.95 133.78 53.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -147.82 132.95 18.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.741 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.92 171.25 20.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 111.383 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.51 133.8 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.3 137.14 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.958 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.17 142.87 30.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HB3' ' CG2' ' A' ' 25' ' ' THR . 2.4 mm? -147.51 -177.08 5.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.777 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.7 t -92.82 -32.12 4.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.88 -164.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.301 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.22 -41.55 16.83 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.84 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.36 -48.89 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 109.799 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 5.2 t -69.72 -41.15 75.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.628 178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.55 -55.81 16.99 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 18.5 mt-10 -49.74 -33.96 17.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.886 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -73.34 -46.06 51.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.177 0.513 . . . . 0.0 110.314 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -76.24 -58.43 3.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.09 -31.16 40.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.755 -179.168 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 44.2 tttt -77.68 -34.54 52.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -22.99 63.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -82.83 -53.31 5.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -65.78 -27.58 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.428 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -80.26 -39.89 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 -62.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.333 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.8 57.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.5 p -143.22 -155.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.053 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 t -110.15 173.89 2.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.978 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -96.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -167.96 -141.45 3.19 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.776 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 20.4 t -77.07 110.51 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.339 0.59 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -84.82 147.76 26.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.78 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.2 m -156.47 139.58 15.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.223 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 56.3 t80 -119.83 153.73 35.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.074 0.464 . . . . 0.0 111.663 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.3 117.31 22.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 28.54 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.32 -28.73 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.471 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.13 28.16 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 54.18 77.22 0.2 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.967 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.5 m -140.12 122.51 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 111.702 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 29.8 m-85 -94.67 154.05 17.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.34 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -143.87 122.08 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -138.51 130.85 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.856 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.403 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -132.17 132.0 42.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.029 -179.729 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.124 179.823 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.416 ' CG2' ' CD1' ' A' ' 17' ' ' ILE . 89.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.357 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.539 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 4.0 m-85 -107.0 128.13 54.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.406 ' CG ' HG12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -108.81 136.59 48.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.366 -179.675 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.507 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 63.6 tp -127.41 143.02 51.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.0 tt -130.58 126.33 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.088 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.631 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mp -119.51 124.88 47.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -113.17 105.83 13.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.7 -179.06 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -97.05 31.5 2.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.59 -46.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.928 0.394 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.25 162.71 34.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -100.3 121.76 42.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -116.12 130.73 56.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -147.74 138.09 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.13 173.14 11.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -136.17 122.68 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -130.75 137.5 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.534 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -95.27 133.4 39.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -136.82 -174.66 3.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.7 p -99.16 -45.75 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.796 0.332 . . . . 0.0 111.467 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.77 170.54 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -74.44 -43.92 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.186 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.92 25.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.349 0.595 . . . . 0.0 109.898 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -40.88 73.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.587 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -52.55 -52.3 55.57 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 29.7 tt0 -52.84 -33.84 51.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.786 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -73.04 -48.48 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 110.279 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 7.9 t80 -71.58 -58.86 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.913 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.5 -27.87 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.564 -179.078 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.1 tmtt? -76.58 -32.87 58.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 110.131 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -25.8 63.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.766 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 6.1 t80 -80.45 -55.4 4.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -58.87 -29.44 66.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -82.24 -29.18 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.023 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -53.11 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 12.8 mptt -58.5 -68.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.053 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -111.51 -157.43 0.62 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 t -94.57 166.93 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.664 0.269 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.94 119.45 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 111.01 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.69 -140.16 5.3 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.565 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 9.3 p -61.4 159.04 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -133.98 138.78 45.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.028 0.442 . . . . 0.0 111.582 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.47 152.34 30.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.124 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -125.12 151.25 45.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.441 . . . . 0.0 111.326 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -120.92 117.01 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.427 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.54 28.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 -30.45 11.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.522 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -159.67 28.59 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.96 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mttt 56.26 79.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.4 m -145.14 129.7 17.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.315 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.48 151.37 19.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -133.89 117.11 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 111.12 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 3.9 p -138.57 138.36 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.527 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.44 128.05 20.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.371 . . . . 0.0 110.801 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.892 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.525 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 4.4 m-85 -106.87 127.33 53.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.66 137.23 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.307 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.472 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 53.0 tp -131.71 136.45 47.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.4 pt -134.88 122.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.935 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.3 mp -113.01 134.07 54.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.2 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -122.54 125.4 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' CD1' ' HB ' ' A' ' 38' ' ' THR . 15.7 mt -119.42 -179.32 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -11.15 44.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.3 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.95 -33.18 6.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.115 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.36 145.21 6.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.15 123.54 48.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.781 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -122.82 153.25 39.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.26 157.5 44.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.8 171.07 20.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.14 125.59 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 5.9 mmpt? -121.32 172.44 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -125.42 131.49 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' CD1' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -150.51 -165.55 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.905 179.746 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.2 p -125.43 -45.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.276 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.69 140.36 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' CA ' ' OH ' ' A' ' 3' ' ' TYR . . . -59.9 -27.45 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.376 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.46 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.316 0.579 . . . . 0.0 109.557 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.4 ' CG2' ' CD1' ' A' ' 20' ' ' LEU . 2.5 m -71.61 -44.59 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.864 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.28 -51.81 56.39 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.8 tm-20 -51.04 -35.59 35.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.621 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -67.34 -49.25 64.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.17 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -73.2 -61.02 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.026 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.31 -47.2 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.781 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -63.85 -39.89 95.27 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.513 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -30.28 70.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.468 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 2.8 t80 -78.4 -49.84 12.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.339 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' CB ' HD23 ' A' ' 7' ' ' LEU . . . -67.71 -31.52 71.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.587 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -79.67 -28.19 40.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.318 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 -53.09 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 111.526 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 2.2 mmtt -60.76 -67.55 0.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.294 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.404 ' HB ' ' CD1' ' A' ' 9' ' ' LEU . 16.2 p -109.47 -156.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -103.72 159.45 4.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.691 0.281 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.31 113.92 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.54 -132.84 4.12 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.445 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.3 m -70.09 113.27 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.435 0.636 . . . . 0.0 111.227 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -86.12 150.39 24.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER -156.4 113.69 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -94.87 150.47 20.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.032 0.444 . . . . 0.0 111.434 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.24 125.86 48.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.61 27.29 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.59 -35.88 15.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.126 0.488 . . . . 0.0 110.513 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 m -165.33 35.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.755 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 82.37 0.17 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.589 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.8 m -138.74 137.51 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.419 . . . . 0.0 111.458 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -109.43 136.27 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.35 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' THR . 68.3 m -131.77 116.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 111.181 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -135.65 135.41 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.776 0.322 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.594 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.7 m-85 -106.28 130.47 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 137.86 48.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.644 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.522 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 29.4 tp -133.43 129.24 37.04 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.692 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 pt -123.55 117.5 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.1 mp -107.76 134.01 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.94 110.04 15.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.64 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.6 mt -97.77 -178.93 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.197 0.522 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.27 46.03 1.15 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -166.05 -43.86 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.089 0.471 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.75 156.16 39.71 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.28 121.87 44.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.069 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -119.97 127.25 52.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -136.32 147.17 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 172.27 18.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.414 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.58 128.82 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -130.38 137.92 50.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -84.6 145.99 27.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.41 -166.25 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 m -111.13 -46.75 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.274 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.49 179.49 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.623 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.45 -41.39 19.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.191 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.85 -50.02 36.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.273 0.559 . . . . 0.0 109.801 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -70.66 -42.09 71.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.742 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.47 -53.3 38.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 3.3 mm-40 -51.6 -34.74 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.571 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -47.72 64.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.102 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -75.16 -60.63 2.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.92 -39.7 40.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.858 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 33.8 tttt -69.23 -46.84 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -25.43 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 37' ' ' LYS . 10.4 t80 -77.79 -58.25 3.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.22 -21.6 34.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.736 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.85 -39.34 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.64 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.5 -22.38 19.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 33' ' ' TYR . 19.9 tptt -84.69 -37.09 21.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.668 0.271 . . . . 0.0 111.363 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -140.57 -81.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.257 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.54 159.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.051 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.56 108.72 21.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.27 -138.68 4.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.83 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 7.9 p -61.3 158.92 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -135.61 146.18 47.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 111.556 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.3 113.56 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.263 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 70.3 t80 -94.18 150.01 20.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 111.477 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -120.56 128.01 52.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.61 26.72 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.389 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -39.75 15.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.96 0.409 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.28 38.65 0.08 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mttp 60.77 78.86 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.758 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.5 m -135.45 143.92 46.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.357 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.476 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 m-85 -115.09 153.88 29.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.747 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.9 m -143.71 111.6 6.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 3.0 p -131.98 136.25 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.19 171.66 13.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.001 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.83 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.861 0.362 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.577 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 3.1 m-85 -107.14 134.74 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 141.78 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 111.492 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 37.7 tp -137.98 142.94 40.45 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.599 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.3 tt -131.87 127.08 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.93 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.681 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.1 mp -120.75 126.56 50.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.214 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.49 95.48 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.76 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.72 177.69 6.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -84.97 -27.03 26.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.263 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.08 -40.15 31.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.61 168.06 4.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 0.0 111.393 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -94.51 121.62 36.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -123.58 121.27 35.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.938 0.399 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -147.7 133.23 18.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.79 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.47 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.8 mmpt? -122.13 173.27 7.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.685 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -122.05 127.68 50.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -144.07 -177.02 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.624 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 t -103.53 -34.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.419 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -145.09 -175.75 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.416 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -85.23 -44.78 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.318 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.44 -51.38 15.23 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.318 0.58 . . . . 0.0 110.028 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -68.97 -40.61 78.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.43 -52.74 52.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -51.53 -34.45 36.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.387 178.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -69.69 -50.11 47.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.259 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -71.43 -59.16 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.968 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.61 -43.38 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -179.07 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 21.6 tttt -63.59 -38.57 91.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.2 66.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -82.31 -56.66 3.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -59.65 -29.72 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.49 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -83.86 -26.79 29.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.417 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.67 -54.74 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.583 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -57.89 -53.64 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.502 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.6 p -122.1 -89.27 0.6 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.536 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 p -178.28 160.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.662 0.268 . . . . 0.0 111.054 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -96.99 130.95 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.81 -118.24 1.72 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.155 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 30.2 m -83.66 103.77 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 121.314 0.578 . . . . 0.0 110.9 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -82.15 145.22 30.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.844 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' THR . 4.3 p -156.61 109.57 2.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 62.7 t80 -89.94 154.57 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 111.486 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.34 119.37 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 44.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.316 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.04 -30.07 10.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.565 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.55 39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.338 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.01 71.49 0.56 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.773 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 47.6 m -131.68 144.28 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 0.0 111.505 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 26.4 m-85 -117.84 150.24 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.461 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' THR . 58.4 m -142.38 114.63 8.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.681 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 12.7 p -138.56 139.71 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.406 ' CG2' ' CG2' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -141.32 167.55 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.763 0.316 . . . . 0.0 111.136 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.989 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.866 0.365 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m -69.52 118.62 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.535 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.7 m-85 -100.44 132.85 45.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 18.7 mttp -115.89 136.49 52.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.476 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 29.2 tp -135.9 137.64 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 pt -134.56 126.78 48.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.0 mp -112.08 133.93 53.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -119.37 98.94 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.403 ' CD1' ' HB ' ' A' ' 38' ' ' THR . 47.5 mt -82.79 -178.86 7.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -73.13 -24.08 60.56 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.57 45.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.59 98.28 0.11 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -84.79 116.04 23.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -125.38 128.14 47.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -144.36 142.13 30.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.88 179.29 9.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 23.5 mm -137.6 130.5 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -133.41 136.96 45.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -89.49 144.47 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.85 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.21 -167.47 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.56 -46.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.388 . . . . 0.0 111.216 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -135.72 178.89 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.494 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -82.77 -40.2 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.07 -49.27 42.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 109.985 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -41.54 69.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.649 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.19 -53.79 38.87 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 26.1 tt0 -51.08 -34.81 31.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.276 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -47.94 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.112 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -75.08 -60.76 2.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.991 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.23 -45.38 44.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.916 -179.252 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -66.69 -41.19 88.46 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.927 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -29.88 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.65 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.43 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 5.2 t80 -75.71 -53.79 7.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -61.22 -27.2 68.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.4 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -84.58 -27.39 27.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.16 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 -52.51 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.318 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.02 -55.04 29.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 9' ' ' LEU . 33.6 p -129.86 -157.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.5 t -92.76 159.73 2.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.66 105.94 14.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.081 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.88 -124.08 4.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.992 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 17.4 m -61.51 159.24 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.669 0.271 . . . . 0.0 110.333 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -137.52 106.51 5.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.31 110.98 19.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.457 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -91.17 146.37 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.69 125.11 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.782 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.43 41.58 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -28.77 10.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.439 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 t -174.04 39.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER 59.95 73.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.43 140.13 53.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.185 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -118.94 131.5 56.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.499 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.4 m -127.01 120.74 29.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.1 p -138.49 132.43 41.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.416 ' CG2' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.13 157.69 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.169 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.025 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.852 0.358 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 14.7 t -69.51 121.82 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.579 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.8 m-85 -103.43 136.45 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -118.31 140.79 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.027 0.442 . . . . 0.0 111.632 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 31.9 tp -138.04 140.58 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.726 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.7 pt -134.68 120.25 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 3.2 mp -109.9 133.96 52.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -111.8 95.2 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.63 178.18 3.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -81.99 -21.5 37.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -133.31 26.76 4.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.959 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 178.14 162.98 0.65 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 111.315 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.95 110.35 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.46 140.13 40.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.023 0.439 . . . . 0.0 111.19 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.83 140.28 24.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.86 172.08 18.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.399 . . . . 0.0 111.337 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 21.7 mm -130.17 129.34 65.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HE3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.62 134.22 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.932 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 32.4 mt-10 -87.48 133.72 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.244 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -142.5 -172.87 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.598 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 m -105.13 -46.81 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.682 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -134.5 169.69 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -73.59 -44.33 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.63 -50.3 24.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.258 0.551 . . . . 0.0 109.762 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -41.34 72.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.432 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.48 -53.5 36.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 48.7 mt-10 -51.43 -35.06 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.396 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -52.3 43.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.931 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.442 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 10.1 t80 -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.622 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.46 -47.87 38.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.754 -179.202 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tttp -59.96 -34.75 73.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.667 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.435 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.0 t80 -78.36 -55.25 5.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.325 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -59.9 -21.4 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.602 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -85.92 -53.61 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.195 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.62 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 1.5 mmtt -70.85 -68.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.143 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.3 p -119.73 -155.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.69 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.92 175.71 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -128.24 131.14 48.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -136.26 -100.18 0.58 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.692 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.4 t -90.84 105.84 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.403 0.621 . . . . 0.0 111.051 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -81.1 144.66 31.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.379 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' THR . 64.6 p -156.42 114.69 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -89.85 154.12 20.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.41 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 125.52 43.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.16 24.42 4.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.397 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -28.68 28.67 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.227 0.537 . . . . 0.0 110.993 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -177.36 38.14 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.597 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.44 77.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.2 m -141.51 127.59 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.322 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -94.95 150.0 20.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.4 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' THR . 75.6 m -143.73 114.26 7.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.395 . . . . 0.0 111.286 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 8.7 p -132.93 151.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.735 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.408 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -140.97 175.48 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.886 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.532 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 120.903 0.382 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.5 m -119.75 117.07 27.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.579 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.4 m-85 -102.03 132.41 47.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -105.85 138.77 41.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.917 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 57.6 tp -138.38 135.59 35.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.584 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.2 pt -133.69 119.75 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.3 mp -108.05 133.72 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.64 102.95 9.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' CD1' ' CG2' ' A' ' 38' ' ' THR . 13.1 mt -85.91 179.32 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.37 -1.45 58.06 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.339 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -118.74 -41.15 2.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 111.059 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.5 166.73 26.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 118.63 34.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -115.73 138.85 50.71 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.69 146.23 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.87 176.28 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 111.337 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.9 mm -133.62 138.58 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.1 mmpt? -126.96 173.17 9.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.55 148.42 39.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -169.65 -170.0 0.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.231 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.0 t -124.08 -36.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.451 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -134.61 163.8 28.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' CA ' ' OH ' ' A' ' 3' ' ' TYR . . . -77.71 -32.45 52.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.267 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.01 49.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.32 0.581 . . . . 0.0 109.698 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.419 ' HB ' ' CD2' ' A' ' 20' ' ' LEU . 5.0 m -69.87 -43.19 72.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.776 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.35 -51.85 56.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.7 tt0 -51.62 -34.63 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.489 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -71.32 -46.87 59.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -75.99 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.23 -41.66 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.68 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.3 ttmt -69.61 -34.44 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -26.17 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 37' ' ' LYS . 5.7 t80 -79.35 -55.99 4.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' CB ' HD22 ' A' ' 7' ' ' LEU . . . -56.42 -27.02 55.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.61 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -85.9 -45.02 11.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 0.0 111.344 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.32 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.602 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -79.56 -72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.3 -179.705 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' CG2' ' CD1' ' A' ' 9' ' ' LEU . 26.1 p -105.29 -84.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.047 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.9 m -161.83 175.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.401 . . . . 0.0 111.176 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -115.32 105.88 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.42 -134.36 4.55 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.358 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.427 ' CG2' ' CG2' ' A' ' 55' ' ' THR . 29.0 m -61.36 158.76 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.628 0 CA-C-N 116.895 0.348 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -135.07 151.16 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.158 0.504 . . . . 0.0 111.629 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.42 144.54 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.212 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -124.98 149.29 47.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.335 . . . . 0.0 111.536 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -118.79 127.76 53.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.64 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -95.24 26.65 3.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.161 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -94.11 -31.22 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.86 32.84 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 12.8 mtmt 59.7 81.86 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.4 m -135.0 141.95 46.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -112.88 152.17 29.59 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -143.05 119.51 10.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.906 0.384 . . . . 0.0 111.054 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 3.8 p -138.35 136.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.427 ' CG2' ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.09 167.49 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.112 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.737 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 90.0 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.796 0.331 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -119.61 117.06 27.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.548 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.9 m-85 -100.89 142.2 32.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.709 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.17 132.66 56.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.091 0.472 . . . . 0.0 111.617 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 27.0 tp -133.98 133.19 41.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 pt -129.49 122.89 56.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.3 mp -108.92 122.44 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.98 105.2 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.2 mt -92.98 169.74 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.665 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 54.45 3.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.029 0.443 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -176.36 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.98 157.54 40.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -103.85 118.14 35.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -115.71 117.97 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -130.22 149.86 51.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 168.06 28.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -129.26 137.05 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 4.8 mmpt? -122.88 173.13 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.79 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -120.53 115.17 22.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.84 -168.86 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 m -118.79 -47.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.58 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -123.75 164.33 19.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.67 -41.0 63.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.04 -49.7 40.01 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.182 0.515 . . . . 0.0 109.81 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -70.23 -42.22 72.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.565 178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.62 -52.68 45.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.19 -35.71 37.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.425 178.322 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -50.95 66.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.706 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.7 -63.62 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.05 -50.89 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.89 -179.613 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 2.4 tttt -60.69 -42.09 96.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.705 0.288 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.68 69.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.2 -57.9 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -56.91 -31.5 64.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.323 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -73.17 -36.02 66.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.98 -54.88 3.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.494 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -56.51 -73.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -107.77 -158.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.631 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -96.53 158.9 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.046 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.87 117.07 31.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.052 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.41 -142.02 5.05 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.64 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 10.1 p -61.24 137.13 23.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 120.922 0.391 . . . . 0.0 110.963 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CD1' HG23 ' A' ' 54' ' ' VAL . 34.8 m95 -109.74 133.34 53.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.393 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.93 108.33 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.234 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -89.84 148.46 23.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 111.401 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -119.47 122.12 40.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.76 36.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -98.66 -28.34 13.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.755 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -174.15 37.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.4 76.7 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.75 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.5 m -140.21 124.64 17.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.352 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 27' ' ' GLU . 40.1 m-85 -94.04 150.21 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.474 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -143.83 94.64 2.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 8.0 p -116.41 137.57 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.721 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.14 169.48 17.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.718 0.294 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.5 m -116.84 117.02 28.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.566 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.2 m-85 -101.57 134.59 44.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.73 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -111.74 141.42 45.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 111.507 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.49 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 24.7 tp -137.75 142.9 40.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.4 tt -130.08 127.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.648 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mp -124.34 125.76 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.839 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -108.98 95.93 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.1 mt -82.35 172.4 13.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.712 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -33.8 76.47 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.248 0.547 . . . . 0.0 111.031 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -69.44 -52.1 30.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.7 173.8 8.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -89.36 123.35 33.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.33 133.71 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -127.97 154.7 45.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.89 166.1 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.276 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.89 125.89 41.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.87 136.65 50.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.714 -179.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.93 134.79 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.003 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -138.91 -178.51 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.2 m -90.98 -45.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.304 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.87 -171.68 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.504 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -85.4 -45.96 11.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.271 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.59 -49.76 18.42 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.345 0.593 . . . . 0.0 110.007 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -70.55 -40.21 73.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.513 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.82 -54.06 33.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.8 mt-10 -51.62 -33.89 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.477 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.54 -46.8 58.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -74.61 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.891 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.87 -38.62 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.633 -179.269 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -70.1 -37.6 75.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 0.0 110.371 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.86 66.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.657 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 9.5 t80 -80.27 -57.33 3.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -59.64 -29.0 67.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.451 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -81.7 -29.16 33.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.54 -56.86 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.382 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -57.96 -60.96 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.594 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.5 p -113.38 -156.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 t -100.44 160.73 3.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -97.98 118.34 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.263 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.77 -138.27 4.16 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.816 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 19.1 m -61.46 155.44 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -129.4 152.16 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.99 0.424 . . . . 0.0 111.678 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.46 162.53 39.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.087 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -138.28 148.91 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.087 0.47 . . . . 0.0 111.449 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -123.44 126.18 46.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.496 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.46 25.1 3.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.339 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -173.53 36.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 O-C-N 123.467 0.479 . . . . 0.0 110.726 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.45 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.663 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.4 m -142.24 127.18 18.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 111.451 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -96.23 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.9 m -140.39 116.97 10.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 3.8 p -138.47 140.89 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.629 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -141.4 149.76 41.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.246 . . . . 0.0 111.174 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--O 1.254 1.312 0 CA-C-O 117.902 -1.046 . . . . 0.0 110.714 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.738 0.304 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.1 t -69.44 127.34 32.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.505 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.0 m-85 -100.88 142.11 32.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 43.7 mttt -119.97 132.71 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.282 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.477 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 42.6 tp -131.46 134.82 46.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 tt -129.82 134.2 63.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 5.0 mp -125.66 134.15 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -124.75 111.97 16.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -104.71 174.6 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 2.86 39.29 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -167.6 32.63 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.011 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.88 99.13 0.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.922 0.392 . . . . 0.0 111.404 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 123.33 39.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.879 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -137.59 132.15 32.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.947 0.403 . . . . 0.0 111.11 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.14 132.71 25.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.496 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.82 174.17 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 13.2 mm -133.65 145.66 33.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -127.32 173.11 10.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 5.4 mt-10 -120.66 116.31 25.05 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -138.17 -170.83 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.729 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.85 -47.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.632 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -126.9 175.27 8.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.926 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -81.44 -35.61 30.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.92 -50.24 47.08 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.263 0.554 . . . . 0.0 109.89 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -71.9 -42.13 67.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.758 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.67 -53.95 33.35 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.1 mt-10 -50.85 -35.37 32.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.35 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -48.68 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.998 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -75.37 -63.15 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.534 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -46.27 -39.9 10.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.133 -179.501 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 13.3 tttt -72.17 -44.24 63.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.821 0.343 . . . . 0.0 110.849 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -28.41 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -77.07 -55.35 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' HA ' HD22 ' A' ' 7' ' ' LEU . . . -65.22 -22.1 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.63 -38.12 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 -63.87 1.17 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.538 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.33 -33.03 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.86 -155.29 0.69 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.914 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -122.23 176.94 4.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.87 109.83 22.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.51 -147.44 6.98 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.422 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.44 106.05 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.385 0.612 . . . . 0.0 110.906 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.419 ' CD1' HG21 ' A' ' 54' ' ' VAL . 15.5 m95 -78.72 151.77 31.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.591 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.48 145.07 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.46 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 40.7 t80 -131.72 155.71 47.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.415 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -126.4 122.79 36.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.499 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -95.03 35.22 1.29 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -108.93 -32.03 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.315 0.578 . . . . 0.0 110.933 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.1 p -159.88 29.18 0.18 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.4 75.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.717 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.405 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER -126.95 141.4 51.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 111.418 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 12.0 m-85 -119.97 145.09 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.486 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -143.73 121.38 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 9.9 p -138.4 126.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.061 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.1 156.96 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.834 179.745 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.763 0.316 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 t -69.58 120.55 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.497 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 3.8 m-85 -106.85 129.0 54.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -108.26 143.02 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 52.4 tp -135.98 142.83 44.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.89 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 tt -134.55 132.09 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.7 mp -122.4 133.85 54.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.223 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -126.24 84.5 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.59 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' CD1' ' CG ' ' A' ' 11' ' ' GLN . 2.0 pt? -96.98 164.5 12.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -29.05 19.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.828 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 19.1 mm-40 -64.53 -48.75 73.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.665 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 179.2 -172.71 0.16 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -110.97 110.75 21.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.787 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -125.89 146.24 49.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -147.73 161.53 41.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.58 176.24 12.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.5 tp -134.13 133.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mmpt? -125.56 173.03 9.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -125.18 132.31 53.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' CD2' ' CG2' ' A' ' 25' ' ' THR . 1.9 mt -156.46 -167.82 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.58 -61.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.44 177.37 4.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.403 . . . . 0.0 110.977 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.79 -33.3 27.32 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.427 ' CG2' ' CD2' ' A' ' 20' ' ' LEU . 2.8 m -71.42 -43.82 66.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.733 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.01 -52.83 39.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 4.4 tm-20 -51.78 -34.87 41.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.276 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -48.89 65.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.058 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.99 -60.86 2.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.829 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.19 -45.67 44.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.777 -179.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.0 tmtm? -66.1 -32.23 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -30.9 70.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.66 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -74.89 -54.45 7.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.515 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -59.29 -26.94 65.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.369 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -79.31 -28.94 42.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.09 -62.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -62.76 -58.58 6.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' CG2' ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -102.36 -155.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.91 168.8 7.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.817 0.341 . . . . 0.0 110.699 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -96.68 106.53 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.54 -127.27 2.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.422 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 29.0 t -61.81 160.1 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -146.14 129.13 16.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.98 0.419 . . . . 0.0 111.249 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.11 116.66 6.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.609 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -91.19 151.56 20.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.31 85.15 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.676 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -20.33 48.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -52.04 -32.68 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -154.54 25.16 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.874 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.73 75.45 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.19 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.2 m -141.84 123.54 15.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -90.52 148.92 22.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 m -136.71 122.32 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 2.4 p -138.54 146.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -141.14 134.69 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.744 0.307 . . . . 0.0 110.948 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.765 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.74 0.305 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 t -72.21 125.91 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 5.0 m-85 -104.24 132.36 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.98 135.65 51.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 111.488 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 41.8 tp -126.98 142.95 51.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.989 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 tt -134.44 129.22 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.588 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.4 mp -123.39 128.9 50.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -104.0 92.09 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -82.06 159.95 23.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.62 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -64.64 -31.75 73.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.093 0.473 . . . . 0.0 111.511 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -79.02 -48.96 13.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.829 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.74 175.11 14.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 118.57 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -115.1 128.91 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.53 140.03 25.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.26 175.1 10.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.7 tp -121.5 147.03 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 1.1 mmtp -133.38 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.074 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.02 110.74 15.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.165 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' CD2' ' N ' ' A' ' 20' ' ' LEU . 2.1 mm? -131.71 -174.8 3.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 m -109.69 -46.6 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.44 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -127.64 168.16 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . . . -75.84 -39.64 56.28 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.178 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.3 -48.75 45.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 109.888 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -71.33 -41.78 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.634 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.54 -54.15 30.38 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 12.8 tt0 -51.19 -34.64 32.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.549 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -49.7 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.238 0.542 . . . . 0.0 110.142 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -71.99 -60.54 2.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.595 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.514 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.44 -48.97 47.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.748 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 8.5 ttpt -61.89 -34.76 76.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.664 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -28.28 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 6.9 t80 -79.2 -55.67 4.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -58.83 -23.43 60.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.49 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -84.26 -36.54 22.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.59 -59.29 2.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.296 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 2.4 mptp? -55.97 -43.44 77.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.3 p -143.06 -155.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.671 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 m -102.64 174.04 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.36 123.34 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.51 -120.12 2.26 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.453 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.2 t -69.23 112.68 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.306 0.574 . . . . 0.0 111.11 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -89.8 150.78 22.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.359 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.75 109.33 2.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.13 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -89.75 146.31 24.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.2 119.94 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.43 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.53 35.27 1.12 Allowed 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.249 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -100.89 -31.58 11.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.476 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -162.91 30.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.63 80.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.4 m -142.66 134.81 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 111.394 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -104.77 131.95 51.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' THR . 63.8 m -118.84 118.13 30.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 11.1 p -138.33 142.42 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -141.48 172.65 12.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.881 -179.833 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.631 0.253 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 11.8 t -69.39 127.52 33.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.578 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 3.4 m-85 -106.3 135.67 47.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.732 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 6.9 mtmm -111.74 139.62 47.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.601 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.487 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 55.4 tp -137.88 136.04 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.563 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 pp -134.53 121.65 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.9 mp -104.85 130.97 52.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.78 100.63 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.68 167.93 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -82.47 -21.53 35.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 111.585 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -96.67 -37.19 10.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.385 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.03 -178.91 6.64 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.21 111.57 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.736 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.81 126.03 52.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -142.99 137.88 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.783 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.08 177.77 10.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.998 0.427 . . . . 0.0 111.469 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 30.7 mm -132.79 139.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.96 172.93 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.754 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.1 OUTLIER -120.3 124.85 46.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mt -141.21 -172.87 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.66 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.4 -34.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 111.661 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.34 179.87 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.911 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.416 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -83.32 -43.97 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.345 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.5 -49.56 25.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.335 0.588 . . . . 0.0 110.012 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -71.67 -40.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.429 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.16 -53.53 41.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.3 tt0 -51.15 -35.42 35.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.319 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -50.65 63.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.994 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -71.62 -62.04 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.714 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.04 -48.67 32.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.99 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -61.46 -40.46 94.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -27.22 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 7.7 t80 -78.06 -56.89 4.12 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' CB ' HD22 ' A' ' 7' ' ' LEU . . . -55.78 -31.96 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -79.68 -29.29 40.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.592 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.6 -53.58 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.571 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 4.9 mptt -57.2 -64.94 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.616 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.83 -86.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.591 0.234 . . . . 0.0 111.628 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -176.01 162.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.045 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.71 144.12 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.144 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.52 -129.75 1.08 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.134 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 22.9 t -61.46 142.37 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -127.05 145.01 50.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.198 0.523 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.44 132.58 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.036 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -110.95 147.48 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.458 . . . . 0.0 111.509 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -116.27 124.95 51.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.465 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.91 23.72 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.362 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.71 -35.62 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -164.72 32.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 61.16 82.24 0.17 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -143.26 130.12 20.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.481 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -100.19 150.79 22.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.438 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 t -143.96 106.18 4.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.922 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.6 p -118.64 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.5 166.56 22.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.029 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.766 0.317 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.3 m -118.27 117.15 28.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.2 m-85 -101.0 133.88 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -114.76 135.53 54.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.983 0.42 . . . . 0.0 111.574 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 20.0 tp -137.95 133.85 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.77 131.04 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 3.8 mp -118.17 134.03 55.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -120.39 130.34 54.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.583 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' A' ' 38' ' ' THR . 51.9 mt -120.6 -179.0 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.689 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -97.89 24.74 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -152.45 -45.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.6 145.77 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -117.31 124.38 48.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.181 0.515 . . . . 0.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -126.43 136.79 53.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.814 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -145.36 142.23 29.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.85 178.94 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -138.21 133.79 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -133.72 137.53 45.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -92.58 138.76 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.002 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -142.81 -176.41 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.09 -45.76 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.459 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.58 -177.86 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -83.26 -41.45 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.185 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.4 26.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.919 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -69.94 -41.36 74.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.72 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.1 -54.64 27.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -49.86 -35.09 22.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.583 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -51.02 40.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -71.1 -59.26 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.116 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.35 -52.61 44.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.936 -179.052 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.13 -32.25 70.83 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.13 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.787 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.446 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 3.1 t80 -72.21 -49.63 33.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.405 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' CB ' HD23 ' A' ' 7' ' ' LEU . . . -63.8 -25.64 68.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.567 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.75 -27.81 24.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.23 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.75 -40.86 11.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.38 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 4.7 mmpt? -73.52 -67.93 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.404 ' HB ' HD12 ' A' ' 9' ' ' LEU . 61.6 p -109.11 -158.85 0.66 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -98.22 172.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.775 0.321 . . . . 0.0 110.993 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -100.83 123.28 44.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -138.52 -134.65 3.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 27.3 m -61.76 157.44 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.536 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -136.36 109.49 7.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 109.56 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.354 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -89.95 156.73 18.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.431 . . . . 0.0 111.313 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.57 114.38 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.85 28.38 2.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -103.76 -28.57 11.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.162 0.506 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -158.21 27.75 0.25 Allowed 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.802 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.81 77.76 0.2 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.2 m -142.12 127.06 18.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 111.298 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -96.56 146.12 25.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.36 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.6 m -140.19 107.85 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.338 . . . . 0.0 111.393 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 2.1 p -122.59 140.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.437 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 2.2 m -134.95 152.3 51.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.688 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.732 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.866 0.365 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.7 m -118.26 116.94 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.772 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.538 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.5 m-85 -101.25 130.32 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -112.56 138.84 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.231 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.489 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 41.6 tp -136.4 132.35 35.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 pt -130.23 122.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 4.1 mp -107.23 133.65 51.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.93 70.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.649 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 11' ' ' GLN . 1.9 pt? -78.24 170.03 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -50.75 11.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HG2' ' CD1' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -59.07 -17.89 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -178.8 -168.0 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.191 0.52 . . . . 0.0 111.829 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -133.33 106.92 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -107.71 133.51 52.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.91 0.386 . . . . 0.0 111.395 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -147.88 140.69 24.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.7 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.91 -178.3 7.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.956 0.408 . . . . 0.0 111.611 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.97 132.42 28.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -135.2 136.72 42.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -89.79 152.1 21.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CD2' ' CG2' ' A' ' 25' ' ' THR . 1.0 OUTLIER -163.35 -166.62 1.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.49 -48.21 10.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -135.31 -177.24 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' CA ' ' OH ' ' A' ' 3' ' ' TYR . . . -85.44 -36.51 20.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.0 -50.97 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.211 0.529 . . . . 0.0 109.613 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.423 ' CG2' ' CD2' ' A' ' 20' ' ' LEU . 2.6 m -70.79 -43.03 69.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.635 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.2 -53.22 37.02 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.4 tt0 -51.12 -34.94 32.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.452 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -68.13 -46.75 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.152 0.501 . . . . 0.0 110.181 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -76.75 -61.15 2.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.756 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.0 -37.41 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.852 -179.264 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 17.3 tttm -74.64 -34.32 62.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 110.405 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.46 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -79.76 -55.0 5.31 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.432 ' CB ' HD22 ' A' ' 7' ' ' LEU . . . -57.32 -35.82 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.6 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -76.73 -38.34 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.195 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.58 5.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.486 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -70.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.308 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -156.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 t -109.97 162.7 7.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 120.699 0.285 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.0 106.07 18.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.996 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.74 -134.9 4.09 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.395 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 18.0 t -61.7 155.52 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.935 0.398 . . . . 0.0 111.573 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.48 155.26 31.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.254 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 63.5 t80 -130.7 155.21 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 111.292 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -121.26 122.98 41.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.26 22.45 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -33.24 14.36 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.37 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -164.16 31.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 1.9 mttp 59.69 85.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.6 m -141.31 128.14 20.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.463 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 36.0 m-85 -100.39 150.31 22.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.445 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.92 120.47 11.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 3.8 p -133.41 122.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 t -119.76 168.57 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.768 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.756 0.313 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 m -69.5 123.61 21.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.516 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.2 m-85 -100.8 140.8 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -117.81 132.3 56.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.355 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 42.5 tp -126.4 135.67 51.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.67 133.85 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mp -128.77 133.83 48.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -114.33 119.15 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 mt -101.69 -178.89 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -91.44 49.48 1.6 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.14 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.38 146.39 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.76 123.77 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.629 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.08 138.7 54.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.26 142.59 30.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.669 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.18 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.76 134.48 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 6.9 mmpt? -126.27 173.21 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.08 123.63 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 25' ' ' THR . 2.3 mt -142.5 -173.45 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.937 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.5 m -103.98 -47.55 10.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 120.804 0.335 . . . . 0.0 111.537 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.09 -173.86 3.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.295 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.49 -31.86 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.708 0.29 . . . . 0.0 110.71 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.85 73.57 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.292 0.568 . . . . 0.0 109.603 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.473 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 2.8 t -70.53 -43.28 69.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.792 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.78 -56.61 14.41 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 17.5 tt0 -46.53 -36.48 6.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.704 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -51.96 38.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.032 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 t80 -70.95 -59.64 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.127 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -50.92 -50.03 58.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.032 -179.097 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 10.3 tttt -62.48 -30.57 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.579 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -29.04 64.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 8.1 t80 -74.99 -56.66 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -57.97 -21.84 46.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.477 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -83.73 -36.3 23.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 111.279 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 -22.82 19.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.731 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -99.94 -69.44 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.337 -179.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.37 -155.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.899 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.61 167.78 7.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.662 0.268 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.8 111.6 23.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.105 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.86 -139.15 5.44 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.033 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -74.82 100.41 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 CA-C-O 121.357 0.598 . . . . 0.0 110.98 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.421 ' CD1' HG22 ' A' ' 54' ' ' VAL . 23.8 m95 -74.43 149.13 40.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.682 -179.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.438 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.6 168.39 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.033 179.265 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -139.94 145.71 38.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.533 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -116.28 129.59 56.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.13 18.53 9.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.539 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -79.66 -31.97 41.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 110.983 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.48 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.51 79.66 0.22 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.4 m -135.64 124.45 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.529 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -90.65 123.54 34.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.438 ' CG2' ' HB ' ' A' ' 44' ' ' THR . 9.8 t -121.73 118.7 29.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 110.79 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 10.1 p -138.37 140.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.73 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.413 ' N ' HG23 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -140.73 153.71 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.949 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.94 0.4 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -69.55 125.08 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.545 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.1 m-85 -100.72 137.41 39.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 23.4 mtmt -114.29 131.43 56.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 0.0 111.404 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 27.4 tp -128.4 138.22 52.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 pt -134.69 118.09 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.2 mp -108.82 133.95 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -122.39 100.78 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.78 178.01 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.794 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -79.7 -27.32 40.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -86.24 -49.1 7.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 149.57 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.12 50.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.503 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.28 144.95 46.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -139.15 141.98 38.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.746 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.83 165.65 35.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.467 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 4' ' ' LYS . 30.4 mm -123.64 139.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.21 169.81 16.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -102.82 137.6 40.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.416 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 HD13 HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -147.85 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.2 t -109.82 -33.76 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.89 178.08 8.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.416 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -84.04 -47.19 11.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.181 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.25 -49.59 17.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 HD13 ' A' ' 20' ' ' LEU . 5.8 m -70.41 -41.29 73.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.508 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -50.25 -54.98 17.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.16 -34.55 31.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.531 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -49.92 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.051 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.32 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.8 -53.29 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.616 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -31.73 70.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.515 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -31.0 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 5.6 t80 -75.81 -51.29 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.471 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -63.14 -25.16 68.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.512 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -79.11 -42.67 25.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.078 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.34 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 3.8 mptt -61.49 -69.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.8 p -108.67 -155.07 0.55 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.6 m -108.16 174.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-O 120.891 0.377 . . . . 0.0 111.076 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.99 128.6 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.17 -143.07 4.08 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.373 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 30.7 m -61.64 132.49 27.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.085 0.469 . . . . 0.0 110.4 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -109.59 148.37 31.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.457 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' THR . 53.4 p -154.65 111.26 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.077 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 65.0 t80 -89.73 154.61 19.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.428 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -124.06 128.69 49.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.677 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.03 27.91 3.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -86.02 -35.06 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.336 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.24 39.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.0 mttt 61.57 79.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.659 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 m -138.47 126.32 22.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.48 . . . . 0.0 111.376 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 15.5 m-85 -97.38 146.91 24.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.154 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' THR . 78.9 m -143.73 109.89 5.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 111.044 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 10.1 p -128.22 140.95 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.94 170.24 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.972 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.749 0.309 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.5 m -69.47 117.18 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.547 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 3.2 m-85 -102.1 135.41 43.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.29 135.86 53.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.43 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 49.6 tp -133.59 137.24 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.804 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 pt -134.62 120.3 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.5 mp -110.13 129.08 55.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.61 97.02 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.43 HD13 ' HB ' ' A' ' 38' ' ' THR . 1.4 pt? -100.75 -179.1 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -75.76 -57.17 4.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.428 ' HG2' HD11 ' A' ' 9' ' ' LEU . 5.9 pt20 -60.7 -18.0 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -179.17 -170.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 112.227 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -133.38 110.64 10.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -107.54 129.57 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.935 0.397 . . . . 0.0 111.331 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.77 140.79 24.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.521 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.9 175.81 13.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 111.41 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.63 134.64 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -128.68 173.2 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.918 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -118.57 137.75 53.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.698 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 25' ' ' THR . 2.6 mm? -146.92 -177.03 5.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.7 t -100.88 -30.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.001 0.429 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.25 177.48 11.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.135 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -71.87 -31.5 66.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.692 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -52.0 60.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.068 0.461 . . . . 0.0 109.783 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.429 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 1.6 t -71.19 -38.25 72.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.088 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -54.94 -56.61 17.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.0 mt-10 -48.12 -35.19 11.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.874 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -72.48 -46.82 53.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.306 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -75.27 -57.25 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -54.65 -40.59 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.059 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 14.5 tttt -69.49 -43.88 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.714 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -32.84 73.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.026 0.441 . . . . 0.0 110.339 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 5.4 t80 -69.04 -53.61 19.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.259 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.414 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -63.17 -27.06 69.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.61 -36.05 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.68 -28.04 16.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.599 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' CE ' ' CE2' ' A' ' 33' ' ' TYR . 2.1 mptp? -67.18 -79.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.505 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.43 ' HB ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -110.32 -94.92 0.42 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.39 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -152.09 164.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.787 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.8 105.88 18.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.37 -134.62 4.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.187 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 29.1 m -61.52 153.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.237 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -132.42 133.24 43.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.99 114.54 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.404 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -93.96 151.38 19.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.493 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.36 86.42 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.576 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -20.31 40.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -32.61 9.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.585 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.77 29.18 0.12 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 4.3 mttp 55.73 81.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.055 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.0 m -144.71 121.82 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.255 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -92.61 148.58 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.1 m -142.26 107.16 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 111.129 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 2.6 p -123.95 138.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.402 ' CG2' ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -140.98 172.26 12.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.221 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.92 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 m -92.46 117.19 29.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.629 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.6 m-85 -103.6 132.07 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -112.88 140.07 47.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 111.661 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 43.1 tp -138.01 135.96 36.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.829 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.4 pt -129.4 122.94 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.555 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.6 mp -113.41 133.98 54.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.961 0.41 . . . . 0.0 111.301 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' HB2' ' HB ' ' A' ' 55' ' ' THR . 0.9 OUTLIER -122.82 68.07 0.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.574 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 11' ' ' GLN . 1.0 OUTLIER -76.32 152.92 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 -179.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -42.04 39.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 4.9 tt0 -58.11 -36.71 73.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.91 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 177.69 173.33 0.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -107.6 118.43 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -121.33 145.66 47.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -147.71 144.08 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.78 175.1 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.359 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.83 126.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.71 136.44 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.668 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 152.32 21.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.68 -172.95 4.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.784 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.57 -33.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -153.21 178.18 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.437 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -79.09 -48.69 13.89 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.74 -50.82 13.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.225 0.536 . . . . 0.0 109.814 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -68.69 -40.89 79.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.461 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.08 -50.81 60.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -53.67 -34.35 58.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.542 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -67.28 -47.91 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 109.974 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -75.05 -62.97 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.134 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -47.52 -44.75 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.889 -179.248 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -66.37 -43.61 85.44 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.751 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -23.62 67.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.441 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.5 t80 -76.36 -53.77 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -64.39 -29.28 70.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -78.11 -47.47 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.302 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 -53.52 7.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.47 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -57.73 -70.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.448 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.6 p -104.85 -157.11 0.6 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 m -96.44 174.36 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -102.4 136.99 41.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.47 -145.39 4.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 8.9 p -61.31 159.16 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 120.545 0.212 . . . . 0.0 110.447 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -132.68 137.0 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.002 0.43 . . . . 0.0 111.57 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.83 153.54 41.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.188 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -129.75 148.01 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 111.393 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -117.19 123.71 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.481 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.06 25.96 3.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.453 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.61 -33.76 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.41 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -164.94 32.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.298 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.6 mttp 60.64 84.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -142.54 129.47 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.399 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -96.13 154.37 17.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -143.7 108.96 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.375 . . . . 0.0 111.625 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 2.8 p -127.88 133.95 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.239 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 8' ' ' ASN . 0.6 OUTLIER -139.5 155.27 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 0.0 111.319 -179.602 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.915 -179.755 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.894 0.378 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -92.47 119.67 32.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.551 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.5 m-85 -101.73 136.33 41.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.651 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.13 134.26 54.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 111.625 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 47.5 tp -130.03 140.34 50.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 tt -125.9 133.11 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.632 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.9 mp -127.19 133.97 50.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.07 93.8 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.554 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 mt -90.7 169.44 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -30.07 64.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.072 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -78.4 -56.15 4.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.776 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.02 163.07 40.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -92.21 124.3 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -110.95 133.78 53.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -147.82 132.95 18.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.741 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.92 171.25 20.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 111.383 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.51 133.8 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.3 137.14 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.958 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.17 142.87 30.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HB3' ' CG2' ' A' ' 25' ' ' THR . 2.4 mm? -147.51 -177.08 5.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.777 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.7 t -92.82 -32.12 4.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.88 -164.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.301 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.22 -41.55 16.83 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.84 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.36 -48.89 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 109.799 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 5.2 t -69.72 -41.15 75.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.628 178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.55 -55.81 16.99 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 18.5 mt-10 -49.74 -33.96 17.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.886 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -73.34 -46.06 51.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.177 0.513 . . . . 0.0 110.314 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -76.24 -58.43 3.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.09 -31.16 40.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.755 -179.168 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 44.2 tttt -77.68 -34.54 52.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -22.99 63.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -82.83 -53.31 5.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -65.78 -27.58 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.428 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -80.26 -39.89 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 -62.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.333 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.8 57.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.5 p -143.22 -155.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.053 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 t -110.15 173.89 2.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.978 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -96.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -167.96 -141.45 3.19 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.776 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 20.4 t -77.07 110.51 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.339 0.59 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -84.82 147.76 26.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.78 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.2 m -156.47 139.58 15.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.223 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 56.3 t80 -119.83 153.73 35.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.074 0.464 . . . . 0.0 111.663 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.3 117.31 22.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 28.54 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.32 -28.73 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.471 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.13 28.16 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 54.18 77.22 0.2 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.967 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.5 m -140.12 122.51 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 111.702 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 29.8 m-85 -94.67 154.05 17.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.34 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -143.87 122.08 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -138.51 130.85 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.856 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.403 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -132.17 132.0 42.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.029 -179.729 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.124 179.823 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.814 0.34 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.416 ' CG2' ' CD1' ' A' ' 17' ' ' ILE . 89.3 m -69.54 119.44 13.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.773 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.539 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 4.0 m-85 -107.0 128.13 54.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' CG ' HG12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -108.81 136.59 48.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.366 -179.675 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 63.6 tp -127.41 143.02 51.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.0 tt -130.58 126.33 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.088 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.631 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.2 mp -119.51 124.88 47.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -113.17 105.83 13.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.7 -179.06 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -97.05 31.5 2.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.59 -46.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.928 0.394 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.25 162.71 34.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -100.3 121.76 42.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -116.12 130.73 56.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -147.74 138.09 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.13 173.14 11.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 0.4 OUTLIER -136.17 122.68 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -130.75 137.5 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.534 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -95.27 133.4 39.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -136.82 -174.66 3.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.7 p -99.16 -45.75 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.796 0.332 . . . . 0.0 111.467 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.77 170.54 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -74.44 -43.92 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.186 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.92 25.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.349 0.595 . . . . 0.0 109.898 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -40.88 73.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.587 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -52.55 -52.3 55.57 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 29.7 tt0 -52.84 -33.84 51.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.786 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -73.04 -48.48 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 110.279 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 7.9 t80 -71.58 -58.86 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.913 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.5 -27.87 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.564 -179.078 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.1 tmtt? -76.58 -32.87 58.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 110.131 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -25.8 63.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.766 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 6.1 t80 -80.45 -55.4 4.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -58.87 -29.44 66.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -82.24 -29.18 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.023 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -53.11 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 12.8 mptt -58.5 -68.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.053 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -111.51 -157.43 0.62 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 t -94.57 166.93 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.664 0.269 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.94 119.45 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 111.01 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.69 -140.16 5.3 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.565 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 9.3 p -61.4 159.04 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -133.98 138.78 45.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.028 0.442 . . . . 0.0 111.582 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.47 152.34 30.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.124 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -125.12 151.25 45.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.441 . . . . 0.0 111.326 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -120.92 117.01 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.427 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.54 28.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 -30.45 11.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.522 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -159.67 28.59 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.96 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mttt 56.26 79.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.4 m -145.14 129.7 17.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.315 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.48 151.37 19.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -133.89 117.11 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 111.12 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 3.9 p -138.57 138.36 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.527 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.44 128.05 20.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.371 . . . . 0.0 110.801 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.892 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.803 0.335 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.7 m -119.54 117.1 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.525 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 4.4 m-85 -106.87 127.33 53.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.66 137.23 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.307 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 53.0 tp -131.71 136.45 47.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.4 pt -134.88 122.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.935 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 2.3 mp -113.01 134.07 54.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.2 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -122.54 125.4 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' CD1' ' HB ' ' A' ' 38' ' ' THR . 15.7 mt -119.42 -179.32 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -11.15 44.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.3 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.95 -33.18 6.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.115 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.36 145.21 6.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.15 123.54 48.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.781 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -122.82 153.25 39.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -145.26 157.5 44.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.8 171.07 20.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.14 125.59 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 5.9 mmpt? -121.32 172.44 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -125.42 131.49 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' CD1' ' CG2' ' A' ' 25' ' ' THR . 0.3 OUTLIER -150.51 -165.55 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.905 179.746 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.2 p -125.43 -45.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.276 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.69 140.36 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' CA ' ' OH ' ' A' ' 3' ' ' TYR . . . -59.9 -27.45 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.376 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.46 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.316 0.579 . . . . 0.0 109.557 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.4 ' CG2' ' CD1' ' A' ' 20' ' ' LEU . 2.5 m -71.61 -44.59 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.864 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.28 -51.81 56.39 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.8 tm-20 -51.04 -35.59 35.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.621 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -67.34 -49.25 64.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.17 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -73.2 -61.02 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.026 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.31 -47.2 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.781 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -63.85 -39.89 95.27 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.513 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -30.28 70.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.468 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 2.8 t80 -78.4 -49.84 12.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.339 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' CB ' HD23 ' A' ' 7' ' ' LEU . . . -67.71 -31.52 71.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.587 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -79.67 -28.19 40.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.318 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 -53.09 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 111.526 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 2.2 mmtt -60.76 -67.55 0.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.294 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.404 ' HB ' ' CD1' ' A' ' 9' ' ' LEU . 16.2 p -109.47 -156.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -103.72 159.45 4.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.691 0.281 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -99.31 113.92 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.54 -132.84 4.12 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.445 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.3 m -70.09 113.27 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.435 0.636 . . . . 0.0 111.227 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -86.12 150.39 24.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER -156.4 113.69 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -94.87 150.47 20.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.032 0.444 . . . . 0.0 111.434 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.24 125.86 48.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.61 27.29 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.59 -35.88 15.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.126 0.488 . . . . 0.0 110.513 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 m -165.33 35.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.755 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 82.37 0.17 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.589 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.8 m -138.74 137.51 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.419 . . . . 0.0 111.458 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -109.43 136.27 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.35 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' THR . 68.3 m -131.77 116.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 111.181 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -135.65 135.41 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 t -118.95 117.1 27.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.594 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.7 m-85 -106.28 130.47 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 137.86 48.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.644 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 29.4 tp -133.43 129.24 37.04 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.692 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 pt -123.55 117.5 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.1 mp -107.76 134.01 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.94 110.04 15.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.64 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.6 mt -97.77 -178.93 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.197 0.522 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.27 46.03 1.15 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -166.05 -43.86 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.089 0.471 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.75 156.16 39.71 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.28 121.87 44.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.069 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -119.97 127.25 52.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -136.32 147.17 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 172.27 18.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.414 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -132.58 128.82 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -130.38 137.92 50.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -84.6 145.99 27.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.41 -166.25 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.576 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 m -111.13 -46.75 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.274 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.49 179.49 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.623 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.45 -41.39 19.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.191 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.85 -50.02 36.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.273 0.559 . . . . 0.0 109.801 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 m -70.66 -42.09 71.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.742 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.47 -53.3 38.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 3.3 mm-40 -51.6 -34.74 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.571 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -47.72 64.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.102 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -75.16 -60.63 2.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.92 -39.7 40.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.858 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 33.8 tttt -69.23 -46.84 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -25.43 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 37' ' ' LYS . 10.4 t80 -77.79 -58.25 3.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.22 -21.6 34.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.736 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.85 -39.34 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.64 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.5 -22.38 19.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 33' ' ' TYR . 19.9 tptt -84.69 -37.09 21.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.668 0.271 . . . . 0.0 111.363 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -140.57 -81.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.257 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.54 159.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.051 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.56 108.72 21.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.27 -138.68 4.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.83 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 7.9 p -61.3 158.92 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -135.61 146.18 47.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 111.556 -178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.3 113.56 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.263 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 70.3 t80 -94.18 150.01 20.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 111.477 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -120.56 128.01 52.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.61 26.72 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.389 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -39.75 15.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.96 0.409 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.28 38.65 0.08 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mttp 60.77 78.86 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.758 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.5 m -135.45 143.92 46.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.357 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 m-85 -115.09 153.88 29.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.747 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.9 m -143.71 111.6 6.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.553 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 3.0 p -131.98 136.25 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.19 171.66 13.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.001 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.83 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.998 0.428 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.0 m -119.5 117.21 27.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.577 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 3.1 m-85 -107.14 134.74 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 141.78 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 111.492 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 37.7 tp -137.98 142.94 40.45 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.599 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.3 tt -131.87 127.08 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.93 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.681 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 1.1 mp -120.75 126.56 50.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.214 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.49 95.48 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.76 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.72 177.69 6.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -84.97 -27.03 26.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.263 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.08 -40.15 31.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.61 168.06 4.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 0.0 111.393 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -94.51 121.62 36.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -123.58 121.27 35.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.938 0.399 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -147.7 133.23 18.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.79 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.47 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.8 mmpt? -122.13 173.27 7.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.685 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -122.05 127.68 50.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -144.07 -177.02 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.624 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 t -103.53 -34.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.419 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -145.09 -175.75 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.416 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . . . -85.23 -44.78 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.318 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.44 -51.38 15.23 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.318 0.58 . . . . 0.0 110.028 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -68.97 -40.61 78.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.43 -52.74 52.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -51.53 -34.45 36.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.387 178.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -69.69 -50.11 47.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.259 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -71.43 -59.16 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.968 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.61 -43.38 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -179.07 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 21.6 tttt -63.59 -38.57 91.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.2 66.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -82.31 -56.66 3.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' CB ' ' CD2' ' A' ' 7' ' ' LEU . . . -59.65 -29.72 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.49 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -83.86 -26.79 29.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.417 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.67 -54.74 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.583 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -57.89 -53.64 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.502 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.6 p -122.1 -89.27 0.6 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.536 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 p -178.28 160.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.662 0.268 . . . . 0.0 111.054 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -96.99 130.95 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.81 -118.24 1.72 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.155 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 30.2 m -83.66 103.77 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 121.314 0.578 . . . . 0.0 110.9 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -82.15 145.22 30.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.844 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' THR . 4.3 p -156.61 109.57 2.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 62.7 t80 -89.94 154.57 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 111.486 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.34 119.37 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 44.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.316 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.04 -30.07 10.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.565 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.55 39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.338 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.01 71.49 0.56 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.773 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 47.6 m -131.68 144.28 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 0.0 111.505 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 26.4 m-85 -117.84 150.24 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.461 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' THR . 58.4 m -142.38 114.63 8.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.681 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 12.7 p -138.56 139.71 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.406 ' CG2' ' CG2' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -141.32 167.55 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.763 0.316 . . . . 0.0 111.136 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.989 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.876 0.37 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.591 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 1.7 m-85 -100.44 132.85 45.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.712 ' HG2' HG23 ' A' ' 17' ' ' ILE . 18.7 mttp -115.89 136.49 52.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 29.2 tp -135.9 137.64 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.808 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.2 pt -134.56 126.78 48.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.082 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.0 mp -112.08 133.93 53.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -119.37 98.94 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.818 HD11 ' HB ' ' A' ' 38' ' ' THR . 47.5 mt -82.79 -178.86 7.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -73.13 -24.08 60.56 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.57 45.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB3' HD12 ' A' ' 9' ' ' LEU . . . -173.59 98.28 0.11 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -84.79 116.04 23.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -125.38 128.14 47.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.808 ' HB3' HG22 ' A' ' 6' ' ' ILE . 1.9 mp0 -144.36 142.13 30.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.88 179.29 9.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.712 HG23 ' HG2' ' A' ' 4' ' ' LYS . 23.5 mm -137.6 130.5 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -133.41 136.96 45.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.823 ' O ' HD22 ' A' ' 20' ' ' LEU . 5.0 tt0 -89.49 144.47 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.85 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -148.21 -167.47 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.0 m -108.56 -46.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.388 . . . . 0.0 111.216 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.0 t70 -135.72 178.89 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.494 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.591 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.77 -40.2 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.07 -49.27 42.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 109.985 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -41.54 69.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.649 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.19 -53.79 38.87 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 26.1 tt0 -51.08 -34.81 31.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.276 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -47.94 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.112 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -75.08 -60.76 2.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.991 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.23 -45.38 44.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.916 -179.252 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -66.69 -41.19 88.46 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.927 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -29.88 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.65 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 5.2 t80 -75.71 -53.79 7.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.082 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -61.22 -27.2 68.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.4 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -84.58 -27.39 27.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.16 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 -52.51 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.318 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.02 -55.04 29.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.818 ' HB ' HD11 ' A' ' 9' ' ' LEU . 33.6 p -129.86 -157.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.545 ' H ' HD21 ' A' ' 9' ' ' LEU . 25.5 t -92.76 159.73 2.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -112.66 105.94 14.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.081 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.88 -124.08 4.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.992 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 54' ' ' VAL . 17.4 m -61.51 159.24 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.669 0.271 . . . . 0.0 110.333 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -137.52 106.51 5.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.31 110.98 19.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.457 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -91.17 146.37 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.69 125.11 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.782 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.43 41.58 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -28.77 10.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.439 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 t -174.04 39.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER 59.95 73.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.775 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -123.43 140.13 53.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.185 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.4 m-85 -118.94 131.5 56.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.499 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.759 HG23 HD11 ' A' ' 6' ' ' ILE . 6.4 m -127.01 120.74 29.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 42' ' ' VAL . 7.1 p -138.49 132.43 41.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.64 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.13 157.69 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.169 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.025 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 14.7 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.873 0.368 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.824 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.8 m-85 -103.43 136.45 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.794 ' HG2' HD12 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -118.31 140.79 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.027 0.442 . . . . 0.0 111.632 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.539 HD13 ' CB ' ' A' ' 52' ' ' PHE . 31.9 tp -138.04 140.58 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.726 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.662 HG22 ' HB2' ' A' ' 15' ' ' GLU . 10.7 pt -134.68 120.25 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 34' ' ' ALA . 3.2 mp -109.9 133.96 52.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -111.8 95.2 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.653 ' CD2' HG22 ' A' ' 39' ' ' VAL . 13.6 mt -70.63 178.18 3.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -81.99 -21.5 37.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -133.31 26.76 4.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.959 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 11' ' ' GLN . . . 178.14 162.98 0.65 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 111.315 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.95 110.35 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.46 140.13 40.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.023 0.439 . . . . 0.0 111.19 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.662 ' HB2' HG22 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -147.83 140.28 24.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.79 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.86 172.08 18.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.399 . . . . 0.0 111.337 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.794 HD12 ' HG2' ' A' ' 4' ' ' LYS . 21.7 mm -130.17 129.34 65.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HE3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.62 134.22 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.932 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 32.4 mt-10 -87.48 133.72 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.244 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.824 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.2 mt -142.5 -172.87 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.598 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.2 m -105.13 -46.81 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.682 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 21' ' ' VAL . 5.2 t70 -134.5 169.69 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.634 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -73.59 -44.33 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.63 -50.3 24.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.258 0.551 . . . . 0.0 109.762 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -41.34 72.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.432 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.492 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -51.48 -53.5 36.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 48.7 mt-10 -51.43 -35.06 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.396 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -52.3 43.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.931 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 10.1 t80 -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.622 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.46 -47.87 38.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.754 -179.202 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tttp -59.96 -34.75 73.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.667 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.0 t80 -78.36 -55.25 5.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.325 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.9 -21.4 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.602 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -85.92 -53.61 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.195 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.62 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 1.5 mmtt -70.85 -68.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.143 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.75 ' OG1' HD22 ' A' ' 7' ' ' LEU . 19.3 p -119.73 -155.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.69 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.653 HG22 ' CD2' ' A' ' 9' ' ' LEU . 33.1 m -101.92 175.71 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -128.24 131.14 48.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.26 -100.18 0.58 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.692 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.4 t -90.84 105.84 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.403 0.621 . . . . 0.0 111.051 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -81.1 144.66 31.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.379 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' THR . 64.6 p -156.42 114.69 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -89.85 154.12 20.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.41 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 125.52 43.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.16 24.42 4.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.397 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -28.68 28.67 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.227 0.537 . . . . 0.0 110.993 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -177.36 38.14 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.597 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.44 77.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 4' ' ' LYS . 68.2 m -141.51 127.59 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.322 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.539 ' CB ' HD13 ' A' ' 5' ' ' LEU . 44.2 m-85 -94.95 150.0 20.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.4 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' THR . 75.6 m -143.73 114.26 7.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.395 . . . . 0.0 111.286 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 8.7 p -132.93 151.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.735 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.97 175.48 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.623 ' HG3' HG21 ' A' ' 39' ' ' VAL . 5.4 tt0 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.532 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.5 m . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.876 0.369 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.617 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.4 m-85 -102.03 132.41 47.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.706 ' HB3' HG23 ' A' ' 51' ' ' THR . 17.1 ttpt -105.85 138.77 41.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.917 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 57.6 tp -138.38 135.59 35.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.584 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.683 HG22 ' CB ' ' A' ' 15' ' ' GLU . 8.2 pt -133.69 119.75 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.065 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.3 mp -108.05 133.72 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.64 102.95 9.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.688 HD21 HG22 ' A' ' 39' ' ' VAL . 13.1 mt -85.91 179.32 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.37 -1.45 58.06 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.339 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -118.74 -41.15 2.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 111.059 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.5 166.73 26.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 118.63 34.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -115.73 138.85 50.71 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.683 ' CB ' HG22 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -147.69 146.23 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.68 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.87 176.28 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 111.337 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.68 HD13 ' O ' ' A' ' 16' ' ' ALA . 5.9 mm -133.62 138.58 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.1 mmpt? -126.96 173.17 9.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.55 148.42 39.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.963 HD21 ' CG2' ' A' ' 25' ' ' THR . 0.1 OUTLIER -169.65 -170.0 0.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.231 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.608 ' H ' HD23 ' A' ' 20' ' ' LEU . 26.0 t -124.08 -36.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.451 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.513 ' O ' HD22 ' A' ' 20' ' ' LEU . 25.6 t0 -134.61 163.8 28.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.617 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -77.71 -32.45 52.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.267 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.01 49.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.32 0.581 . . . . 0.0 109.698 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.963 ' CG2' HD21 ' A' ' 20' ' ' LEU . 5.0 m -69.87 -43.19 72.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.776 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.643 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.35 -51.85 56.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.7 tt0 -51.62 -34.63 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.489 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -71.32 -46.87 59.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -75.99 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.23 -41.66 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.68 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.3 ttmt -69.61 -34.44 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -26.17 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CG ' ' HG3' ' A' ' 37' ' ' LYS . 5.7 t80 -79.35 -55.99 4.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.065 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -56.42 -27.02 55.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.61 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -85.9 -45.02 11.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 0.0 111.344 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.32 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.602 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -79.56 -72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.3 -179.705 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.628 ' O ' HG13 ' A' ' 39' ' ' VAL . 26.1 p -105.29 -84.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.047 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.688 HG22 HD21 ' A' ' 9' ' ' LEU . 2.9 m -161.83 175.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.401 . . . . 0.0 111.176 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -115.32 105.88 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.42 -134.36 4.55 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.358 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.827 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.0 m -61.36 158.76 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.628 0 CA-C-N 116.895 0.348 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -135.07 151.16 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.158 0.504 . . . . 0.0 111.629 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.42 144.54 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.212 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -124.98 149.29 47.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.335 . . . . 0.0 111.536 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -118.79 127.76 53.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.64 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -95.24 26.65 3.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.161 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -94.11 -31.22 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.86 32.84 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 12.8 mtmt 59.7 81.86 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.706 HG23 ' HB3' ' A' ' 4' ' ' LYS . 23.4 m -135.0 141.95 46.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -112.88 152.17 29.59 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.651 HG23 HG13 ' A' ' 6' ' ' ILE . 2.1 m -143.05 119.51 10.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.906 0.384 . . . . 0.0 111.054 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -138.35 136.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.658 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.09 167.49 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.112 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.737 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 2' ' ' THR . 14.8 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.735 0.302 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.812 ' HB2' HD12 ' A' ' 20' ' ' LEU . 1.9 m-85 -100.89 142.2 32.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.709 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.772 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -118.17 132.66 56.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.091 0.472 . . . . 0.0 111.617 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 27.0 tp -133.98 133.19 41.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.88 HG22 ' CB ' ' A' ' 15' ' ' GLU . 15.7 pt -129.49 122.89 56.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.976 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.3 mp -108.92 122.44 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.98 105.2 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' CD2' HG12 ' A' ' 39' ' ' VAL . 42.2 mt -92.98 169.74 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.665 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 54.45 3.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.029 0.443 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -176.36 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.98 157.54 40.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -103.85 118.14 35.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -115.71 117.97 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.88 ' CB ' HG22 ' A' ' 6' ' ' ILE . 4.6 pt-20 -130.22 149.86 51.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 168.06 28.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.54 HD12 ' CG ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -129.26 137.05 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 4.8 mmpt? -122.88 173.13 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.79 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 19.3 mt-10 -120.53 115.17 22.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.1 mt -137.84 -168.86 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 22' ' ' ASP . 16.9 m -118.79 -47.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.58 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 21' ' ' VAL . 30.7 t70 -123.75 164.33 19.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -73.67 -41.0 63.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.04 -49.7 40.01 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.182 0.515 . . . . 0.0 109.81 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.481 HG22 HD22 ' A' ' 20' ' ' LEU . 1.6 m -70.23 -42.22 72.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.565 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -51.62 -52.68 45.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.19 -35.71 37.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.425 178.322 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -50.95 66.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.706 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.7 -63.62 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.05 -50.89 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.89 -179.613 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 2.4 tttt -60.69 -42.09 96.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.705 0.288 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.68 69.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.2 -57.9 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.976 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -56.91 -31.5 64.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.323 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -73.17 -36.02 66.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.98 -54.88 3.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.494 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -56.51 -73.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.783 ' OG1' HD22 ' A' ' 7' ' ' LEU . 63.2 p -107.77 -158.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.631 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 9' ' ' LEU . 12.3 p -96.53 158.9 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.046 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -97.87 117.07 31.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.052 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.41 -142.02 5.05 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.64 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 54' ' ' VAL . 10.1 p -61.24 137.13 23.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 120.922 0.391 . . . . 0.0 110.963 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -109.74 133.34 53.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.393 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.93 108.33 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.234 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -89.84 148.46 23.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 111.401 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -119.47 122.12 40.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.76 36.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -98.66 -28.34 13.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.755 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -174.15 37.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.4 76.7 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.75 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.772 HG23 ' HB3' ' A' ' 4' ' ' LYS . 53.5 m -140.21 124.64 17.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.352 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 27' ' ' GLU . 40.1 m-85 -94.04 150.21 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.474 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -143.83 94.64 2.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 42' ' ' VAL . 8.0 p -116.41 137.57 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.721 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.524 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -141.14 169.48 17.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.9 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.784 HG22 HD11 ' A' ' 17' ' ' ILE . 27.5 m . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.983 0.421 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.59 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.2 m-85 -101.57 134.59 44.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.73 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.658 ' HB3' HG23 ' A' ' 51' ' ' THR . 8.6 tttp -111.74 141.42 45.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 111.507 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 6' ' ' ILE . 24.7 tp -137.75 142.9 40.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.4 tt -130.08 127.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.02 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.2 mp -124.34 125.76 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.839 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -108.98 95.93 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.604 HD11 ' HB ' ' A' ' 38' ' ' THR . 18.1 mt -82.35 172.4 13.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.712 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -33.8 76.47 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.248 0.547 . . . . 0.0 111.031 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -69.44 -52.1 30.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.7 173.8 8.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -89.36 123.35 33.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.33 133.71 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -127.97 154.7 45.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.89 166.1 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.276 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.784 HD11 HG22 ' A' ' 2' ' ' THR . 0.9 OUTLIER -135.89 125.89 41.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.87 136.65 50.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.714 -179.795 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.814 ' C ' HD22 ' A' ' 20' ' ' LEU . 1.5 mt-10 -89.93 134.79 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.003 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.814 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.6 mm? -138.91 -178.51 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.2 m -90.98 -45.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.304 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -140.87 -171.68 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.504 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.4 -45.96 11.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.271 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.59 -49.76 18.42 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.345 0.593 . . . . 0.0 110.007 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -70.55 -40.21 73.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.513 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.82 -54.06 33.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.8 mt-10 -51.62 -33.89 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.477 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.54 -46.8 58.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -74.61 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.891 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.87 -38.62 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.633 -179.269 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -70.1 -37.6 75.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 0.0 110.371 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.86 66.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.657 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 9.5 t80 -80.27 -57.33 3.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.02 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.64 -29.0 67.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.451 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -81.7 -29.16 33.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.54 -56.86 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.382 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -57.96 -60.96 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.594 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.829 ' OG1' HD22 ' A' ' 7' ' ' LEU . 10.5 p -113.38 -156.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.519 ' H ' HD21 ' A' ' 9' ' ' LEU . 12.4 t -100.44 160.73 3.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' HG12 ' A' ' 39' ' ' VAL . 11.3 tt0 -97.98 118.34 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.263 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.77 -138.27 4.16 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.816 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 54' ' ' VAL . 19.1 m -61.46 155.44 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -129.4 152.16 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.99 0.424 . . . . 0.0 111.678 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.46 162.53 39.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.087 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -138.28 148.91 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.087 0.47 . . . . 0.0 111.449 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -123.44 126.18 46.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.496 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.46 25.1 3.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.339 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 49' ' ' THR . 7.4 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -173.53 36.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 O-C-N 123.467 0.479 . . . . 0.0 110.726 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.45 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.663 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.658 HG23 ' HB3' ' A' ' 4' ' ' LYS . 62.4 m -142.24 127.18 18.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 111.451 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -96.23 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 6' ' ' ILE . 6.9 m -140.39 116.97 10.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -138.47 140.89 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.629 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.524 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -141.4 149.76 41.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.246 . . . . 0.0 111.174 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--O 1.254 1.312 0 CA-C-O 117.902 -1.046 . . . . 0.0 110.714 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.1 t . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.854 0.359 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.682 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.0 m-85 -100.88 142.11 32.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.805 ' HB2' HG23 ' A' ' 51' ' ' THR . 43.7 mttt -119.97 132.71 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.282 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 52' ' ' PHE . 42.6 tp -131.46 134.82 46.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.897 HG23 HG23 ' A' ' 53' ' ' THR . 1.9 tt -129.82 134.2 63.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.831 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.873 HD21 ' CB ' ' A' ' 34' ' ' ALA . 5.0 mp -125.66 134.15 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -124.75 111.97 16.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.799 HD11 HG23 ' A' ' 38' ' ' THR . 95.9 mt -104.71 174.6 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 2.86 39.29 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -167.6 32.63 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.011 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.64 ' HB3' HD12 ' A' ' 9' ' ' LEU . . . -176.88 99.13 0.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.922 0.392 . . . . 0.0 111.404 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 123.33 39.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.879 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -137.59 132.15 32.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.947 0.403 . . . . 0.0 111.11 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.14 132.71 25.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.496 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.765 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.82 174.17 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.765 HD13 ' O ' ' A' ' 16' ' ' ALA . 13.2 mm -133.65 145.66 33.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -127.32 173.11 10.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 5.4 mt-10 -120.66 116.31 25.05 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.793 HD22 HG22 ' A' ' 25' ' ' THR . 2.0 mt -138.17 -170.83 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.729 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.9 m -112.85 -47.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.632 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.8 p30 -126.9 175.27 8.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.926 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.675 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -81.44 -35.61 30.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.92 -50.24 47.08 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.263 0.554 . . . . 0.0 109.89 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.793 HG22 HD22 ' A' ' 20' ' ' LEU . 1.5 m -71.9 -42.13 67.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.758 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.697 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.67 -53.95 33.35 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.1 mt-10 -50.85 -35.37 32.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.35 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -48.68 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.998 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -75.37 -63.15 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.534 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -46.27 -39.9 10.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.133 -179.501 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 13.3 tttt -72.17 -44.24 63.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.821 0.343 . . . . 0.0 110.849 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -28.41 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.583 ' HE1' HD13 ' A' ' 7' ' ' LEU . 20.0 t80 -77.07 -55.35 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.873 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -65.22 -22.1 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.63 -38.12 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 -63.87 1.17 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.538 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.33 -33.03 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.799 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -128.86 -155.29 0.69 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.914 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.421 HG22 HD21 ' A' ' 9' ' ' LEU . 26.8 m -122.23 176.94 4.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.87 109.83 22.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.51 -147.44 6.98 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.422 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.44 106.05 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.385 0.612 . . . . 0.0 110.906 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -78.72 151.77 31.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.591 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.48 145.07 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.46 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 40.7 t80 -131.72 155.71 47.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.415 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -126.4 122.79 36.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.499 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -95.03 35.22 1.29 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 49' ' ' THR . 84.4 mt-10 -108.93 -32.03 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.315 0.578 . . . . 0.0 110.933 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 48' ' ' GLU . 23.1 p -159.88 29.18 0.18 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.657 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.4 75.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.717 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.805 HG23 ' HB2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -126.95 141.4 51.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 111.418 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.51 ' HB3' HD13 ' A' ' 5' ' ' LEU . 12.0 m-85 -119.97 145.09 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.486 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.897 HG23 HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -143.73 121.38 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 9.9 p -138.4 126.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.061 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.1 156.96 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.834 179.745 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 2' ' ' THR . 12.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.82 0.343 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.602 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.8 m-85 -106.85 129.0 54.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.697 ' HB3' HG23 ' A' ' 51' ' ' THR . 4.0 tttt -108.26 143.02 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.485 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 52.4 tp -135.98 142.83 44.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.89 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.472 HG23 HG23 ' A' ' 53' ' ' THR . 3.4 tt -134.55 132.09 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.956 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.7 mp -122.4 133.85 54.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.223 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -126.24 84.5 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.59 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.928 HD22 ' CG2' ' A' ' 38' ' ' THR . 2.0 pt? -96.98 164.5 12.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -29.05 19.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.828 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.407 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 19.1 mm-40 -64.53 -48.75 73.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.665 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 179.2 -172.71 0.16 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -110.97 110.75 21.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.787 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -125.89 146.24 49.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -147.73 161.53 41.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.58 176.24 12.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 4' ' ' LYS . 5.5 tp -134.13 133.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mmpt? -125.56 173.03 9.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -125.18 132.31 53.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.694 HD13 ' HA ' ' A' ' 26' ' ' ALA . 1.9 mt -156.46 -167.82 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.58 -61.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.44 177.37 4.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.403 . . . . 0.0 110.977 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.79 -33.3 27.32 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.649 ' CG2' HD22 ' A' ' 20' ' ' LEU . 2.8 m -71.42 -43.82 66.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.733 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.694 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.01 -52.83 39.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 4.4 tm-20 -51.78 -34.87 41.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.276 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -48.89 65.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.058 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.99 -60.86 2.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.829 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.19 -45.67 44.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.777 -179.229 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.0 tmtm? -66.1 -32.23 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -30.9 70.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.66 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -74.89 -54.45 7.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.515 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.956 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.29 -26.94 65.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.369 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -79.31 -28.94 42.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.09 -62.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -62.76 -58.58 6.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.928 ' CG2' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -102.36 -155.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.2 t -115.91 168.8 7.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.817 0.341 . . . . 0.0 110.699 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' H ' HG12 ' A' ' 39' ' ' VAL . 61.2 tt0 -96.68 106.53 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.54 -127.27 2.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.422 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.0 t -61.81 160.1 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' N ' HG12 ' A' ' 42' ' ' VAL . 51.6 m95 -146.14 129.13 16.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.98 0.419 . . . . 0.0 111.249 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.11 116.66 6.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.609 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -91.19 151.56 20.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.31 85.15 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.676 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -20.33 48.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -52.04 -32.68 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -154.54 25.16 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.874 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.73 75.45 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.19 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 4' ' ' LYS . 91.2 m -141.84 123.54 15.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HB2' HD13 ' A' ' 5' ' ' LEU . 50.6 m-85 -90.52 148.92 22.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.472 HG23 HG23 ' A' ' 6' ' ' ILE . 13.1 m -136.71 122.32 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.4 p -138.54 146.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.14 134.69 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.744 0.307 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.765 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.995 0.426 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.76 ' HB2' HD23 ' A' ' 20' ' ' LEU . 5.0 m-85 -104.24 132.36 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.773 ' HD3' HD13 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -110.98 135.65 51.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 111.488 -179.335 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.48 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 41.8 tp -126.98 142.95 51.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.989 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 5' ' ' LEU . 4.9 tt -134.44 129.22 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.975 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.4 mp -123.39 128.9 50.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -104.0 92.09 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.674 HD21 HG22 ' A' ' 39' ' ' VAL . 6.7 mt -82.06 159.95 23.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.62 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -64.64 -31.75 73.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.093 0.473 . . . . 0.0 111.511 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -79.02 -48.96 13.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.829 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.74 175.11 14.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 118.57 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -115.1 128.91 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.53 140.03 25.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.26 175.1 10.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.773 HD13 ' HD3' ' A' ' 4' ' ' LYS . 6.7 tp -121.5 147.03 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 1.1 mmtp -133.38 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.074 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.806 ' C ' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -123.02 110.74 15.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.165 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 19' ' ' GLU . 2.1 mm? -131.71 -174.8 3.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.6 m -109.69 -46.6 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.44 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 9.5 p-10 -127.64 168.16 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.627 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -75.84 -39.64 56.28 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.178 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.573 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -49.3 -48.75 45.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 109.888 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -71.33 -41.78 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.634 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.54 -54.15 30.38 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 12.8 tt0 -51.19 -34.64 32.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.549 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -49.7 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.238 0.542 . . . . 0.0 110.142 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -71.99 -60.54 2.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.595 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.44 -48.97 47.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.748 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 8.5 ttpt -61.89 -34.76 76.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.664 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -28.28 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 6.9 t80 -79.2 -55.67 4.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.975 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -58.83 -23.43 60.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.49 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -84.26 -36.54 22.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.59 -59.29 2.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.296 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 2.4 mptp? -55.97 -43.44 77.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.734 ' OG1' HD22 ' A' ' 7' ' ' LEU . 13.3 p -143.06 -155.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.671 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.674 HG22 HD21 ' A' ' 9' ' ' LEU . 13.4 m -102.64 174.04 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.36 123.34 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.51 -120.12 2.26 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.453 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.2 t -69.23 112.68 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.306 0.574 . . . . 0.0 111.11 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -89.8 150.78 22.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.359 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.75 109.33 2.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.13 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -89.75 146.31 24.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.2 119.94 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.43 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.53 35.27 1.12 Allowed 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.249 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 49' ' ' THR . 31.3 tt0 -100.89 -31.58 11.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.476 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -162.91 30.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.356 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.63 80.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.49 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.4 m -142.66 134.81 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 111.394 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -104.77 131.95 51.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' THR . 63.8 m -118.84 118.13 30.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 11.1 p -138.33 142.42 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -141.48 172.65 12.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' HG23 ' A' ' 39' ' ' VAL . 3.7 tm-20 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 11.8 t . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.71 0.29 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.789 ' HB2' HD12 ' A' ' 20' ' ' LEU . 3.4 m-85 -106.3 135.67 47.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.732 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.834 ' CG ' HD12 ' A' ' 17' ' ' ILE . 6.9 mtmm -111.74 139.62 47.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.601 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 55.4 tp -137.88 136.04 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.563 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.856 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.1 pp -134.53 121.65 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.018 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.9 mp -104.85 130.97 52.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.78 100.63 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.602 HD21 HG12 ' A' ' 39' ' ' VAL . 11.0 mt -93.68 167.93 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -82.47 -21.53 35.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 111.585 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -96.67 -37.19 10.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.385 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.03 -178.91 6.64 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.21 111.57 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.736 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.81 126.03 52.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.856 ' HB3' HG22 ' A' ' 6' ' ' ILE . 19.8 mp0 -142.99 137.88 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.783 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.782 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -155.08 177.77 10.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.998 0.427 . . . . 0.0 111.469 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.834 HD12 ' CG ' ' A' ' 4' ' ' LYS . 30.7 mm -132.79 139.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.96 172.93 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.754 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.1 OUTLIER -120.3 124.85 46.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.789 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.7 mt -141.21 -172.87 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.66 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.4 -34.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 111.661 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.34 179.87 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.911 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.691 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -83.32 -43.97 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.345 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.5 -49.56 25.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.335 0.588 . . . . 0.0 110.012 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.594 HG22 HD22 ' A' ' 20' ' ' LEU . 1.3 m -71.67 -40.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.429 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.16 -53.53 41.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.3 tt0 -51.15 -35.42 35.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.319 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -50.65 63.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.994 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -71.62 -62.04 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.714 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.04 -48.67 32.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.99 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -61.46 -40.46 94.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -27.22 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.414 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 7.7 t80 -78.06 -56.89 4.12 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.018 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -55.78 -31.96 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -79.68 -29.29 40.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.592 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.6 -53.58 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.571 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 4.9 mptt -57.2 -64.94 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.616 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.759 ' OG1' HD22 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -108.83 -86.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.591 0.234 . . . . 0.0 111.628 -179.303 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.602 HG12 HD21 ' A' ' 9' ' ' LEU . 12.7 p -176.01 162.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.045 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -96.71 144.12 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.144 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.52 -129.75 1.08 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.134 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 54' ' ' VAL . 22.9 t -61.46 142.37 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -127.05 145.01 50.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.198 0.523 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.44 132.58 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.036 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -110.95 147.48 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.458 . . . . 0.0 111.509 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -116.27 124.95 51.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.465 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.91 23.72 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.362 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.71 -35.62 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -164.72 32.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 61.16 82.24 0.17 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 4' ' ' LYS . 89.6 m -143.26 130.12 20.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.481 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HB2' HD13 ' A' ' 5' ' ' LEU . 40.3 m-85 -100.19 150.79 22.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.438 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 44' ' ' THR . 1.6 t -143.96 106.18 4.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.922 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 42' ' ' VAL . 7.6 p -118.64 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.5 166.56 22.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.029 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.763 HG22 HD11 ' A' ' 17' ' ' ILE . 31.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.928 0.394 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.615 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.2 m-85 -101.0 133.88 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.736 ' HB3' HG23 ' A' ' 51' ' ' THR . 5.2 tttt -114.76 135.53 54.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.983 0.42 . . . . 0.0 111.574 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 20.0 tp -137.95 133.85 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.994 HD11 HG23 ' A' ' 53' ' ' THR . 2.2 pp -134.77 131.04 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.0 HD21 ' HB1' ' A' ' 34' ' ' ALA . 3.8 mp -118.17 134.03 55.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -120.39 130.34 54.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.583 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD11 ' HB ' ' A' ' 38' ' ' THR . 51.9 mt -120.6 -179.0 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.689 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -97.89 24.74 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -152.45 -45.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.6 145.77 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -117.31 124.38 48.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.181 0.515 . . . . 0.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -126.43 136.79 53.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.814 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.88 ' HB3' HG22 ' A' ' 6' ' ' ILE . 20.8 mt-10 -145.36 142.23 29.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.85 178.94 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.763 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -138.21 133.79 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.72 137.53 45.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -92.58 138.76 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.002 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.727 HD22 HG22 ' A' ' 25' ' ' THR . 1.5 mt -142.81 -176.41 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.4 m -95.09 -45.76 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.459 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -137.58 -177.86 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -83.26 -41.45 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.185 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.4 26.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.919 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.727 HG22 HD22 ' A' ' 20' ' ' LEU . 1.6 m -69.94 -41.36 74.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.72 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.1 -54.64 27.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -49.86 -35.09 22.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.583 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -51.02 40.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -71.1 -59.26 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.116 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.35 -52.61 44.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.936 -179.052 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.13 -32.25 70.83 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.13 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.787 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.452 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 3.1 t80 -72.21 -49.63 33.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.405 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.0 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -63.8 -25.64 68.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.567 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.75 -27.81 24.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.23 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.75 -40.86 11.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.38 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 4.7 mmpt? -73.52 -67.93 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.887 ' OG1' HD22 ' A' ' 7' ' ' LEU . 61.6 p -109.11 -158.85 0.66 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.658 HG23 ' CB ' ' A' ' 56' ' ' GLU . 4.4 m -98.22 172.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.775 0.321 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -100.83 123.28 44.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -138.52 -134.65 3.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.813 ' O ' HG23 ' A' ' 54' ' ' VAL . 27.3 m -61.76 157.44 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.536 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -136.36 109.49 7.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 109.56 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.354 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -89.95 156.73 18.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.431 . . . . 0.0 111.313 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.57 114.38 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.85 28.38 2.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -103.76 -28.57 11.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.162 0.506 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -158.21 27.75 0.25 Allowed 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.802 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.81 77.76 0.2 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 4' ' ' LYS . 75.2 m -142.12 127.06 18.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 111.298 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' HB2' HD13 ' A' ' 5' ' ' LEU . 44.5 m-85 -96.56 146.12 25.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.36 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.994 HG23 HD11 ' A' ' 6' ' ' ILE . 65.6 m -140.19 107.85 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.338 . . . . 0.0 111.393 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.1 p -122.59 140.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.436 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 2.2 m -134.95 152.3 51.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.688 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.658 ' CB ' HG23 ' A' ' 39' ' ' VAL . 4.3 tm-20 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.695 HG22 HD11 ' A' ' 17' ' ' ILE . 32.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.612 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.5 m-85 -101.25 130.32 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HB3' HG23 ' A' ' 51' ' ' THR . 1.6 ttmt -112.56 138.84 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.231 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 41.6 tp -136.4 132.35 35.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.633 HG22 ' HB2' ' A' ' 15' ' ' GLU . 1.2 pt -130.23 122.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 34' ' ' ALA . 4.1 mp -107.23 133.65 51.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.93 70.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.649 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.871 HD12 ' HG2' ' A' ' 11' ' ' GLN . 1.9 pt? -78.24 170.03 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -50.75 11.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.871 ' HG2' HD12 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -59.07 -17.89 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -178.8 -168.0 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.191 0.52 . . . . 0.0 111.829 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -133.33 106.92 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -107.71 133.51 52.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.91 0.386 . . . . 0.0 111.395 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.633 ' HB2' HG22 ' A' ' 6' ' ' ILE . 2.9 pp20? -147.88 140.69 24.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.7 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.91 -178.3 7.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.956 0.408 . . . . 0.0 111.611 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.695 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -140.97 132.42 28.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.891 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -135.2 136.72 42.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 17.1 mt-10 -89.79 152.1 21.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.671 HD13 ' HA ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -163.35 -166.62 1.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.49 -48.21 10.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -135.31 -177.24 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.44 -36.51 20.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.0 -50.97 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.211 0.529 . . . . 0.0 109.613 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.585 ' CG2' HD22 ' A' ' 20' ' ' LEU . 2.6 m -70.79 -43.03 69.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.635 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.671 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.2 -53.22 37.02 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.4 tt0 -51.12 -34.94 32.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.452 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -68.13 -46.75 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.152 0.501 . . . . 0.0 110.181 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -76.75 -61.15 2.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.756 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.0 -37.41 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.852 -179.264 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 17.3 tttm -74.64 -34.32 62.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 110.405 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.46 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' HE1' HD13 ' A' ' 7' ' ' LEU . 6.5 t80 -79.76 -55.0 5.31 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.859 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.32 -35.82 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.6 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -76.73 -38.34 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.195 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.58 5.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.486 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -70.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.308 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.854 ' CG2' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -88.48 -156.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 40' ' ' GLU . 12.0 t -109.97 162.7 7.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 120.699 0.285 . . . . 0.0 110.812 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -97.0 106.07 18.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.996 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.74 -134.9 4.09 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.395 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.837 ' O ' HG23 ' A' ' 54' ' ' VAL . 18.0 t -61.7 155.52 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.402 ' N ' HG12 ' A' ' 42' ' ' VAL . 37.3 m95 -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.935 0.398 . . . . 0.0 111.573 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.844 ' OG1' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.48 155.26 31.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.254 179.675 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 63.5 t80 -130.7 155.21 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 111.292 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 1.6 mmmm -121.26 122.98 41.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.26 22.45 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -33.24 14.36 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.37 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -164.16 31.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 1.9 mttp 59.69 85.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.745 HG23 ' HB3' ' A' ' 4' ' ' LYS . 30.6 m -141.31 128.14 20.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 36.0 m-85 -100.39 150.31 22.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.445 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.844 HG23 ' OG1' ' A' ' 44' ' ' THR . 0.6 OUTLIER -143.92 120.47 11.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 111.192 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -133.41 122.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 t -119.76 168.57 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.768 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.563 HG22 HD11 ' A' ' 17' ' ' ILE . 32.5 m . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.888 0.375 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.74 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.2 m-85 -100.8 140.8 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.645 ' HB3' HG23 ' A' ' 51' ' ' THR . 2.3 tttt -117.81 132.3 56.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.355 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 42.5 tp -126.4 135.67 51.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.67 133.85 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.846 HD23 HG13 ' A' ' 54' ' ' VAL . 1.2 mp -128.77 133.83 48.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -114.33 119.15 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 9' ' ' LEU . 5.7 mt -101.69 -178.89 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -91.44 49.48 1.6 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.14 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.38 146.39 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.76 123.77 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.629 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.08 138.7 54.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.26 142.59 30.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.669 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.18 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.609 HD12 ' CB ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -126.76 134.48 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 6.9 mmpt? -126.27 173.21 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.08 123.63 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.858 HD22 HG23 ' A' ' 25' ' ' THR . 2.3 mt -142.5 -173.45 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.937 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 22' ' ' ASP . 35.5 m -103.98 -47.55 10.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 120.804 0.335 . . . . 0.0 111.537 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.505 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -137.09 -173.86 3.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.295 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.619 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -81.49 -31.86 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.708 0.29 . . . . 0.0 110.71 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.85 73.57 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.292 0.568 . . . . 0.0 109.603 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.858 HG23 HD22 ' A' ' 20' ' ' LEU . 2.8 t -70.53 -43.28 69.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.792 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.688 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.78 -56.61 14.41 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 17.5 tt0 -46.53 -36.48 6.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.704 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -51.96 38.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.032 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 t80 -70.95 -59.64 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.127 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -50.92 -50.03 58.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.032 -179.097 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 10.3 tttt -62.48 -30.57 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.579 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -29.04 64.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 8.1 t80 -74.99 -56.66 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.746 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.97 -21.84 46.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.477 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -83.73 -36.3 23.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 111.279 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 -22.82 19.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.731 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -99.94 -69.44 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.337 -179.585 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.426 HG22 ' HG ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -99.37 -155.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.899 -179.628 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.517 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.3 t -115.61 167.78 7.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.662 0.268 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' H ' HG12 ' A' ' 39' ' ' VAL . 9.0 pt-20 -96.8 111.6 23.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.86 -139.15 5.44 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.033 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 55' ' ' THR . 5.1 m -74.82 100.41 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 CA-C-O 121.357 0.598 . . . . 0.0 110.98 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.402 ' CD1' HG21 ' A' ' 54' ' ' VAL . 23.8 m95 -74.43 149.13 40.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.682 -179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.447 ' HB ' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.6 168.39 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.033 179.265 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -139.94 145.71 38.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.533 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -116.28 129.59 56.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.13 18.53 9.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.539 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 49' ' ' THR . 4.7 mm-40 -79.66 -31.97 41.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 110.983 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -172.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.48 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.51 79.66 0.22 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.4 m -135.64 124.45 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.529 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' HD12 ' A' ' 5' ' ' LEU . 37.6 m-85 -90.65 123.54 34.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' HB ' ' A' ' 44' ' ' THR . 9.8 t -121.73 118.7 29.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 110.79 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.846 HG13 HD23 ' A' ' 7' ' ' LEU . 10.1 p -138.37 140.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.73 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.552 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -140.73 153.71 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.949 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.3 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.928 0.394 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.638 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.1 m-85 -100.72 137.41 39.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.87 ' CG ' HD12 ' A' ' 17' ' ' ILE . 23.4 mtmt -114.29 131.43 56.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 0.0 111.404 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 27.4 tp -128.4 138.22 52.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.717 HG22 ' CB ' ' A' ' 15' ' ' GLU . 5.6 pt -134.69 118.09 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.857 HD21 ' CB ' ' A' ' 34' ' ' ALA . 2.2 mp -108.82 133.95 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -122.39 100.78 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.876 HD21 ' CG2' ' A' ' 39' ' ' VAL . 11.4 mt -93.78 178.01 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.794 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -79.7 -27.32 40.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -86.24 -49.1 7.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 149.57 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.12 50.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.503 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.28 144.95 46.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.717 ' CB ' HG22 ' A' ' 6' ' ' ILE . 8.0 pm0 -139.15 141.98 38.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.746 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.511 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.83 165.65 35.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.467 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.87 HD12 ' CG ' ' A' ' 4' ' ' LYS . 30.4 mm -123.64 139.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -133.21 169.81 16.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 3.1 pt-20 -102.82 137.6 40.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.416 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.937 HD11 HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -147.85 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.2 t -109.82 -33.76 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.89 178.08 8.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.638 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -84.04 -47.19 11.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.181 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.25 -49.59 17.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.937 HG22 HD11 ' A' ' 20' ' ' LEU . 5.8 m -70.41 -41.29 73.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.508 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -50.25 -54.98 17.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.16 -34.55 31.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.531 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -49.92 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.051 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.32 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.8 -53.29 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.616 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -31.73 70.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.515 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -31.0 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.422 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 5.6 t80 -75.81 -51.29 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.471 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.857 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -63.14 -25.16 68.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.512 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -79.11 -42.67 25.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.078 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.34 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 3.8 mptt -61.49 -69.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.581 ' OG1' HD22 ' A' ' 7' ' ' LEU . 16.8 p -108.67 -155.07 0.55 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.876 ' CG2' HD21 ' A' ' 9' ' ' LEU . 15.6 m -108.16 174.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-O 120.891 0.377 . . . . 0.0 111.076 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.99 128.6 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.17 -143.07 4.08 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.373 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.69 ' CG2' HG23 ' A' ' 55' ' ' THR . 30.7 m -61.64 132.49 27.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.085 0.469 . . . . 0.0 110.4 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CD2' ' HB ' ' A' ' 54' ' ' VAL . 54.9 m95 -109.59 148.37 31.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.457 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' THR . 53.4 p -154.65 111.26 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.077 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 65.0 t80 -89.73 154.61 19.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.428 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -124.06 128.69 49.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.677 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.03 27.91 3.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 49' ' ' THR . 4.9 tt0 -86.02 -35.06 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.336 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -172.24 39.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.0 mttt 61.57 79.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.659 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 4' ' ' LYS . 40.1 m -138.47 126.32 22.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.48 . . . . 0.0 111.376 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 15.5 m-85 -97.38 146.91 24.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.154 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' THR . 78.9 m -143.73 109.89 5.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 111.044 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 42' ' ' VAL . 10.1 p -128.22 140.95 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.69 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -140.94 170.24 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.972 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.619 HG22 HD11 ' A' ' 17' ' ' ILE . 54.5 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.775 0.321 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.644 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.2 m-85 -102.1 135.41 43.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.679 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.4 OUTLIER -113.29 135.86 53.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.43 -179.651 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 49.6 tp -133.59 137.24 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.804 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.919 HG22 ' HB2' ' A' ' 15' ' ' GLU . 12.2 pt -134.62 120.3 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.02 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.5 mp -110.13 129.08 55.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.61 97.02 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.726 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.4 pt? -100.75 -179.1 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -75.76 -57.17 4.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.692 ' HG2' HD12 ' A' ' 9' ' ' LEU . 5.9 pt20 -60.7 -18.0 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -179.17 -170.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 112.227 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -133.38 110.64 10.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -107.54 129.57 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.935 0.397 . . . . 0.0 111.331 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.919 ' HB2' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -147.77 140.79 24.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.521 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.9 175.81 13.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 111.41 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.619 HD11 HG22 ' A' ' 2' ' ' THR . 0.9 OUTLIER -128.63 134.64 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.922 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -128.68 173.2 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.918 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.764 ' C ' HD22 ' A' ' 20' ' ' LEU . 3.4 mt-10 -118.57 137.75 53.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' C ' ' A' ' 19' ' ' GLU . 2.6 mm? -146.92 -177.03 5.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.7 t -100.88 -30.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.001 0.429 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.25 177.48 11.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.135 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.644 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -71.87 -31.5 66.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.692 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -52.0 60.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.068 0.461 . . . . 0.0 109.783 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.457 HG23 HD12 ' A' ' 20' ' ' LEU . 1.6 t -71.19 -38.25 72.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.088 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -54.94 -56.61 17.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.0 mt-10 -48.12 -35.19 11.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.874 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -72.48 -46.82 53.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.306 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -75.27 -57.25 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -54.65 -40.59 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.059 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 14.5 tttt -69.49 -43.88 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.714 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -32.84 73.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.026 0.441 . . . . 0.0 110.339 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 5.4 t80 -69.04 -53.61 19.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.259 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.02 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -63.17 -27.06 69.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.61 -36.05 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.68 -28.04 16.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.599 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' CE ' ' CE2' ' A' ' 33' ' ' TYR . 2.1 mptp? -67.18 -79.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.505 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.586 ' CG2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.32 -94.92 0.42 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.39 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 40' ' ' GLU . 4.4 t -152.09 164.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.787 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.476 ' N ' HG12 ' A' ' 39' ' ' VAL . 5.8 mm-40 -96.8 105.88 18.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.37 -134.62 4.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.187 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.814 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.1 m -61.52 153.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.237 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -132.42 133.24 43.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.99 114.54 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.404 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -93.96 151.38 19.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.493 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.36 86.42 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.576 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -20.31 40.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -32.61 9.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.585 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.77 29.18 0.12 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 4.3 mttp 55.73 81.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.055 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 4' ' ' LYS . 90.0 m -144.71 121.82 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.255 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -92.61 148.58 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.449 HG23 HG13 ' A' ' 6' ' ' ILE . 42.1 m -142.26 107.16 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 111.129 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.6 p -123.95 138.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.568 HG23 ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -140.98 172.26 12.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.221 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.92 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.73 HG22 HD11 ' A' ' 17' ' ' ILE . 24.6 m . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.725 0.298 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.649 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.6 m-85 -103.6 132.07 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.692 ' HG3' HD12 ' A' ' 17' ' ' ILE . 11.0 ttmt -112.88 140.07 47.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 111.661 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 43.1 tp -138.01 135.96 36.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.829 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.694 HG13 HG23 ' A' ' 53' ' ' THR . 14.4 pt -129.4 122.94 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.026 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.6 mp -113.41 133.98 54.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.961 0.41 . . . . 0.0 111.301 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.82 68.07 0.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.686 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -76.32 152.92 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 -179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -42.04 39.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.574 ' HB3' HD12 ' A' ' 9' ' ' LEU . 4.9 tt0 -58.11 -36.71 73.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.91 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' GLN . . . 177.69 173.33 0.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -107.6 118.43 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -121.33 145.66 47.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.68 ' CB ' HG22 ' A' ' 6' ' ' ILE . 6.7 pt-20 -147.71 144.08 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.78 175.1 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.359 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.73 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -133.83 126.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.901 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.71 136.44 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.668 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 152.32 21.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -151.68 -172.95 4.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.784 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.57 -33.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -153.21 178.18 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.649 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -79.09 -48.69 13.89 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.74 -50.82 13.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.225 0.536 . . . . 0.0 109.814 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -68.69 -40.89 79.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.461 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HA ' HD22 ' A' ' 20' ' ' LEU . . . -52.08 -50.81 60.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -53.67 -34.35 58.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.542 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -67.28 -47.91 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 109.974 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -75.05 -62.97 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.134 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.633 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -47.52 -44.75 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.889 -179.248 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -66.37 -43.61 85.44 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.751 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -23.62 67.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.448 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.5 t80 -76.36 -53.77 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.026 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -64.39 -29.28 70.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -78.11 -47.47 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.302 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 -53.52 7.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.47 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -57.73 -70.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.448 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.758 ' OG1' HD22 ' A' ' 7' ' ' LEU . 13.6 p -104.85 -157.11 0.6 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.829 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 m -96.44 174.36 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -102.4 136.99 41.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.47 -145.39 4.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 54' ' ' VAL . 8.9 p -61.31 159.16 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 120.545 0.212 . . . . 0.0 110.447 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.492 ' N ' HG22 ' A' ' 42' ' ' VAL . 28.6 m95 -132.68 137.0 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.002 0.43 . . . . 0.0 111.57 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.83 153.54 41.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.188 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -129.75 148.01 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 111.393 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -117.19 123.71 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.481 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.06 25.96 3.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.453 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.61 -33.76 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.41 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -164.94 32.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.298 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.6 mttp 60.64 84.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.601 HG23 ' HB3' ' A' ' 4' ' ' LYS . 90.2 m -142.54 129.47 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.399 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.469 ' HB2' HD13 ' A' ' 5' ' ' LEU . 60.7 m-85 -96.13 154.37 17.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.694 HG23 HG13 ' A' ' 6' ' ' ILE . 3.1 m -143.7 108.96 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.375 . . . . 0.0 111.625 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.8 p -127.88 133.95 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.239 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.583 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -139.5 155.27 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 0.0 111.319 -179.602 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.915 -179.755 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 2' ' ' THR . 15.2 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.813 0.34 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.608 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.5 m-85 -101.73 136.33 41.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.651 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -113.13 134.26 54.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 111.625 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 47.5 tp -130.03 140.34 50.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.633 HG23 HG23 ' A' ' 53' ' ' THR . 3.9 tt -125.9 133.11 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.868 HD21 ' CB ' ' A' ' 34' ' ' ALA . 2.9 mp -127.19 133.97 50.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.407 ' CB ' ' HB ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -119.07 93.8 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.554 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.783 HD11 ' HB ' ' A' ' 38' ' ' THR . 14.9 mt -90.7 169.44 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -30.07 64.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.072 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -78.4 -56.15 4.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.776 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.02 163.07 40.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -92.21 124.3 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -110.95 133.78 53.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -147.82 132.95 18.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.741 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.92 171.25 20.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 111.383 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.457 HD12 ' CB ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -126.51 133.8 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.856 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -131.3 137.14 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.958 -179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.796 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -84.17 142.87 30.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 19' ' ' GLU . 2.4 mm? -147.51 -177.08 5.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.777 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' H ' HG21 ' A' ' 25' ' ' THR . 20.7 t -92.82 -32.12 4.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.88 -164.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.301 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.608 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -84.22 -41.55 16.83 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.84 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.36 -48.89 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 109.799 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.443 HG21 ' H ' ' A' ' 21' ' ' VAL . 5.2 t -69.72 -41.15 75.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.628 178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.55 -55.81 16.99 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HG2' ' CE2' ' A' ' 52' ' ' PHE . 18.5 mt-10 -49.74 -33.96 17.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.886 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -73.34 -46.06 51.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.177 0.513 . . . . 0.0 110.314 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -76.24 -58.43 3.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.09 -31.16 40.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.755 -179.168 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 44.2 tttt -77.68 -34.54 52.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -22.99 63.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.493 ' HE1' HD13 ' A' ' 7' ' ' LEU . 11.1 t80 -82.83 -53.31 5.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.868 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -65.78 -27.58 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.428 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -80.26 -39.89 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 -62.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.333 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.8 57.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.783 ' HB ' HD11 ' A' ' 9' ' ' LEU . 11.5 p -143.22 -155.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.053 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 40' ' ' GLU . 1.3 t -110.15 173.89 2.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.978 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.589 ' H ' HG12 ' A' ' 39' ' ' VAL . 5.3 tt0 -96.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -167.96 -141.45 3.19 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.776 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 20.4 t -77.07 110.51 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.339 0.59 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -84.82 147.76 26.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.78 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.407 ' HB ' ' HB ' ' A' ' 53' ' ' THR . 48.2 m -156.47 139.58 15.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.223 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 56.3 t80 -119.83 153.73 35.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.074 0.464 . . . . 0.0 111.663 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.3 117.31 22.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 28.54 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.32 -28.73 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.471 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.13 28.16 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 54.18 77.22 0.2 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.967 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.608 HG23 ' HB3' ' A' ' 4' ' ' LYS . 59.5 m -140.12 122.51 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 111.702 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 29.8 m-85 -94.67 154.05 17.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.34 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.633 HG23 HG23 ' A' ' 6' ' ' ILE . 92.3 m -143.87 122.08 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.642 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -138.51 130.85 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.856 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.407 ' HB ' ' CB ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -132.17 132.0 42.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.029 -179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.669 ' HB3' HD23 ' A' ' 9' ' ' LEU . 1.4 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.687 HG22 HD11 ' A' ' 17' ' ' ILE . 89.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.357 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.668 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.0 m-85 -107.0 128.13 54.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.9 OUTLIER -108.81 136.59 48.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.366 -179.675 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 34' ' ' ALA . 63.6 tp -127.41 143.02 51.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.0 tt -130.58 126.33 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.088 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.036 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.2 mp -119.51 124.88 47.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -113.17 105.83 13.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.544 HD13 HE21 ' A' ' 11' ' ' GLN . 13.2 mt -87.7 -179.06 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -97.05 31.5 2.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.544 HE21 HD13 ' A' ' 9' ' ' LEU . 3.9 pt20 -153.59 -46.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.928 0.394 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.25 162.71 34.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -100.3 121.76 42.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -116.12 130.73 56.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -147.74 138.09 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.13 173.14 11.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.687 HD11 HG22 ' A' ' 2' ' ' THR . 0.4 OUTLIER -136.17 122.68 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -130.75 137.5 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.534 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.821 ' C ' HD22 ' A' ' 20' ' ' LEU . 33.2 tt0 -95.27 133.4 39.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.821 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.4 mm? -136.82 -174.66 3.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.609 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 22' ' ' ASP . 14.7 p -99.16 -45.75 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.796 0.332 . . . . 0.0 111.467 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' N ' HG13 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -134.77 170.54 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.668 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -74.44 -43.92 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.186 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.92 25.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.349 0.595 . . . . 0.0 109.898 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -40.88 73.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.587 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -52.55 -52.3 55.57 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 29.7 tt0 -52.84 -33.84 51.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.786 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -73.04 -48.48 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 110.279 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 7.9 t80 -71.58 -58.86 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.913 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.5 -27.87 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.564 -179.078 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.1 tmtt? -76.58 -32.87 58.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 110.131 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -25.8 63.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.766 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 6.1 t80 -80.45 -55.4 4.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.036 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -58.87 -29.44 66.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -82.24 -29.18 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.023 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -53.11 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 12.8 mptt -58.5 -68.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.053 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.696 ' OG1' HD22 ' A' ' 7' ' ' LEU . 41.3 p -111.51 -157.43 0.62 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.506 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.5 t -94.57 166.93 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.664 0.269 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' H ' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -96.94 119.45 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 111.01 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.69 -140.16 5.3 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.565 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.846 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.3 p -61.4 159.04 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.48 ' N ' HG22 ' A' ' 42' ' ' VAL . 30.9 m95 -133.98 138.78 45.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.028 0.442 . . . . 0.0 111.582 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.47 152.34 30.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.124 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -125.12 151.25 45.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.441 . . . . 0.0 111.326 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -120.92 117.01 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.427 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.54 28.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 -30.45 11.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.522 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -159.67 28.59 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.96 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mttt 56.26 79.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 4' ' ' LYS . 89.4 m -145.14 129.7 17.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.315 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.48 151.37 19.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -133.89 117.11 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 111.12 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.9 p -138.57 138.36 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.527 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.467 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -141.44 128.05 20.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.371 . . . . 0.0 110.801 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.892 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.568 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.4 m-85 -106.87 127.33 53.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.737 ' CG ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -112.66 137.23 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.307 -179.62 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 34' ' ' ALA . 53.0 tp -131.71 136.45 47.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.633 HG22 ' CB ' ' A' ' 15' ' ' GLU . 14.4 pt -134.88 122.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.935 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.042 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.3 mp -113.01 134.07 54.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.2 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -122.54 125.4 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.896 HD11 ' HB ' ' A' ' 38' ' ' THR . 15.7 mt -119.42 -179.32 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -11.15 44.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.3 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.95 -33.18 6.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.115 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.36 145.21 6.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.15 123.54 48.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.781 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -122.82 153.25 39.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.633 ' CB ' HG22 ' A' ' 6' ' ' ILE . 1.9 pt-20 -145.26 157.5 44.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.8 171.07 20.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.737 HD12 ' CG ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -135.14 125.59 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 5.9 mmpt? -121.32 172.44 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.691 ' O ' HD22 ' A' ' 20' ' ' LEU . 6.6 pt-20 -125.42 131.49 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -150.51 -165.55 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.905 179.746 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 22' ' ' ASP . 10.2 p -125.43 -45.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.276 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' N ' HG13 ' A' ' 21' ' ' VAL . 2.7 m-20 -122.69 140.36 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -59.9 -27.45 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.376 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.46 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.316 0.579 . . . . 0.0 109.557 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.772 HG21 HD11 ' A' ' 20' ' ' LEU . 2.5 m -71.61 -44.59 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.864 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.28 -51.81 56.39 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.8 tm-20 -51.04 -35.59 35.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.621 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -67.34 -49.25 64.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.17 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -73.2 -61.02 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.026 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.31 -47.2 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.781 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -63.85 -39.89 95.27 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.513 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -61.21 -30.28 70.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.467 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 2.8 t80 -78.4 -49.84 12.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.339 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.042 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -67.71 -31.52 71.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.587 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -79.67 -28.19 40.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.318 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 -53.09 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 111.526 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 2.2 mmtt -60.76 -67.55 0.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.294 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.896 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.2 p -109.47 -156.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 40' ' ' GLU . 19.8 t -103.72 159.45 4.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.691 0.281 . . . . 0.0 111.067 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 39' ' ' VAL . 3.2 mt-10 -99.31 113.92 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.54 -132.84 4.12 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.445 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 42' ' ' VAL . 31.3 m -70.09 113.27 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.435 0.636 . . . . 0.0 111.227 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -86.12 150.39 24.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER -156.4 113.69 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -94.87 150.47 20.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.032 0.444 . . . . 0.0 111.434 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.24 125.86 48.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.61 27.29 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.59 -35.88 15.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.126 0.488 . . . . 0.0 110.513 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 m -165.33 35.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.755 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 82.37 0.17 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.589 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 4' ' ' LYS . 85.8 m -138.74 137.51 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.419 . . . . 0.0 111.458 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -109.43 136.27 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.35 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' THR . 68.3 m -131.77 116.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 111.181 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -135.65 135.41 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.433 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 2' ' ' THR . 14.4 t . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.776 0.322 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.603 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.7 m-85 -106.28 130.47 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.683 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -111.5 137.86 48.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.644 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.6 HD11 HG12 ' A' ' 54' ' ' VAL . 29.4 tp -133.43 129.24 37.04 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.692 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.875 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.7 pt -123.55 117.5 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.123 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.1 mp -107.76 134.01 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.94 110.04 15.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.64 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.767 HD11 ' HB ' ' A' ' 38' ' ' THR . 98.6 mt -97.77 -178.93 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.197 0.522 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.27 46.03 1.15 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -166.05 -43.86 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.089 0.471 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.75 156.16 39.71 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.28 121.87 44.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.069 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -119.97 127.25 52.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.875 ' HB3' HG22 ' A' ' 6' ' ' ILE . 18.3 mt-10 -136.32 147.17 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 172.27 18.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.414 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.622 HD12 ' CB ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -132.58 128.82 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -130.38 137.92 50.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.743 ' O ' HD22 ' A' ' 20' ' ' LEU . 3.0 mp0 -84.6 145.99 27.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.743 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -149.41 -166.25 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.576 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 22' ' ' ASP . 25.7 m -111.13 -46.75 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.274 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -138.49 179.49 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.623 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.45 -41.39 19.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.191 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.85 -50.02 36.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.273 0.559 . . . . 0.0 109.801 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.411 HG22 ' CD1' ' A' ' 20' ' ' LEU . 1.7 m -70.66 -42.09 71.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.742 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.47 -53.3 38.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 3.3 mm-40 -51.6 -34.74 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.571 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -47.72 64.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.102 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -75.16 -60.63 2.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.92 -39.7 40.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.858 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 33.8 tttt -69.23 -46.84 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.69 -25.43 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.763 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -77.79 -58.25 3.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.123 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -57.22 -21.6 34.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.736 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.85 -39.34 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.64 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.5 -22.38 19.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -84.69 -37.09 21.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.668 0.271 . . . . 0.0 111.363 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.767 ' HB ' HD11 ' A' ' 9' ' ' LEU . 81.4 p -140.57 -81.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.257 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.653 HG12 HD21 ' A' ' 9' ' ' LEU . 11.3 p -173.54 159.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.051 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -98.56 108.72 21.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.27 -138.68 4.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.83 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 54' ' ' VAL . 7.9 p -61.3 158.92 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.493 ' N ' HG22 ' A' ' 42' ' ' VAL . 64.0 m95 -135.61 146.18 47.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 111.556 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.3 113.56 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.263 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 70.3 t80 -94.18 150.01 20.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 111.477 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -120.56 128.01 52.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.61 26.72 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.389 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -39.75 15.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.96 0.409 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.28 38.65 0.08 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mttp 60.77 78.86 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.758 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 4' ' ' LYS . 57.5 m -135.45 143.92 46.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.357 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.476 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 m-85 -115.09 153.88 29.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.747 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.759 HG23 ' CD1' ' A' ' 6' ' ' ILE . 26.9 m -143.71 111.6 6.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.0 p -131.98 136.25 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.655 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -141.19 171.66 13.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.001 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.83 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.848 HG22 HD11 ' A' ' 17' ' ' ILE . 31.0 m . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.861 0.362 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.669 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.1 m-85 -107.14 134.74 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.593 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -109.38 141.78 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 111.492 -179.345 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 34' ' ' ALA . 37.7 tp -137.98 142.94 40.45 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.599 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 5' ' ' LEU . 6.3 tt -131.87 127.08 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.93 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.017 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.1 mp -120.75 126.56 50.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.214 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.49 95.48 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.76 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' HB ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -90.72 177.69 6.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -84.97 -27.03 26.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.263 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.08 -40.15 31.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.61 168.06 4.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 0.0 111.393 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -94.51 121.62 36.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -123.58 121.27 35.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.938 0.399 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -147.7 133.23 18.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.79 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.848 HD11 HG22 ' A' ' 2' ' ' THR . 0.6 OUTLIER -128.47 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.8 mmpt? -122.13 173.27 7.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.685 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.789 ' C ' HD22 ' A' ' 20' ' ' LEU . 59.7 mt-10 -122.05 127.68 50.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.789 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.2 mm? -144.07 -177.02 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.624 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 t -103.53 -34.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.419 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 8.5 p-10 -145.09 -175.75 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.23 -44.78 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.318 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -46.44 -51.38 15.23 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.318 0.58 . . . . 0.0 110.028 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -68.97 -40.61 78.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.43 -52.74 52.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -51.53 -34.45 36.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.387 178.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -69.69 -50.11 47.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.259 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -71.43 -59.16 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.968 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.61 -43.38 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -179.07 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 21.6 tttt -63.59 -38.57 91.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.36 -24.2 66.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.442 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -82.31 -56.66 3.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.017 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.65 -29.72 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.49 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -83.86 -26.79 29.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.417 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.67 -54.74 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.583 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -57.89 -53.64 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.502 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.702 ' OG1' HD22 ' A' ' 7' ' ' LEU . 40.6 p -122.1 -89.27 0.6 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.536 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.531 HG12 HD11 ' A' ' 9' ' ' LEU . 13.4 p -178.28 160.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.662 0.268 . . . . 0.0 111.054 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' N ' HG22 ' A' ' 39' ' ' VAL . 27.9 mt-10 -96.99 130.95 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.81 -118.24 1.72 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.155 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.728 ' CG2' HG23 ' A' ' 55' ' ' THR . 30.2 m -83.66 103.77 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 121.314 0.578 . . . . 0.0 110.9 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -82.15 145.22 30.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.844 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' THR . 4.3 p -156.61 109.57 2.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 62.7 t80 -89.94 154.57 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 111.486 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.34 119.37 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 44.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.316 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.71 ' O ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -105.04 -30.07 10.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.565 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -172.55 39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.338 -179.79 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.01 71.49 0.56 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.773 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 4' ' ' LYS . 47.6 m -131.68 144.28 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 0.0 111.505 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 27' ' ' GLU . 26.4 m-85 -117.84 150.24 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.461 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' THR . 58.4 m -142.38 114.63 8.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.697 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 12.7 p -138.56 139.71 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.728 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -141.32 167.55 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.763 0.316 . . . . 0.0 111.136 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.989 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.496 HG21 ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.866 0.365 . . . . 0.0 111.209 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m -69.52 118.62 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.591 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 1.7 m-85 -100.44 132.85 45.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.712 ' HG2' HG23 ' A' ' 17' ' ' ILE . 18.7 mttp -115.89 136.49 52.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 29.2 tp -135.9 137.64 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.808 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.2 pt -134.56 126.78 48.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.082 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.0 mp -112.08 133.93 53.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -119.37 98.94 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.818 HD11 ' HB ' ' A' ' 38' ' ' THR . 47.5 mt -82.79 -178.86 7.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -73.13 -24.08 60.56 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.57 45.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB3' HD12 ' A' ' 9' ' ' LEU . . . -173.59 98.28 0.11 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -84.79 116.04 23.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -125.38 128.14 47.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.808 ' HB3' HG22 ' A' ' 6' ' ' ILE . 1.9 mp0 -144.36 142.13 30.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.88 179.29 9.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.712 HG23 ' HG2' ' A' ' 4' ' ' LYS . 23.5 mm -137.6 130.5 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -133.41 136.96 45.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.823 ' O ' HD22 ' A' ' 20' ' ' LEU . 5.0 tt0 -89.49 144.47 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.85 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -148.21 -167.47 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.0 m -108.56 -46.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.388 . . . . 0.0 111.216 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.0 t70 -135.72 178.89 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.494 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.591 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.77 -40.2 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.07 -49.27 42.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 109.985 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -41.54 69.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.649 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.19 -53.79 38.87 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 26.1 tt0 -51.08 -34.81 31.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.276 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -47.94 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.112 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -75.08 -60.76 2.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.991 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.23 -45.38 44.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.916 -179.252 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -66.69 -41.19 88.46 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.927 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -29.88 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.65 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 5.2 t80 -75.71 -53.79 7.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.082 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -61.22 -27.2 68.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.4 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -84.58 -27.39 27.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.16 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 -52.51 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.318 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.02 -55.04 29.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.818 ' HB ' HD11 ' A' ' 9' ' ' LEU . 33.6 p -129.86 -157.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.545 ' H ' HD21 ' A' ' 9' ' ' LEU . 25.5 t -92.76 159.73 2.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -112.66 105.94 14.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.081 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.88 -124.08 4.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.992 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 54' ' ' VAL . 17.4 m -61.51 159.24 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.669 0.271 . . . . 0.0 110.333 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -137.52 106.51 5.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.31 110.98 19.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.457 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -91.17 146.37 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.69 125.11 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.782 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.43 41.58 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -28.77 10.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.439 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 t -174.04 39.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' HG21 ' A' ' 1' ' ' THR . 0.9 OUTLIER 59.95 73.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -123.43 140.13 53.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.185 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.4 m-85 -118.94 131.5 56.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.499 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.759 HG23 HD11 ' A' ' 6' ' ' ILE . 6.4 m -127.01 120.74 29.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 42' ' ' VAL . 7.1 p -138.49 132.43 41.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.64 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.13 157.69 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.169 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.025 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.852 0.358 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 14.7 t -69.51 121.82 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.824 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.8 m-85 -103.43 136.45 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.794 ' HG2' HD12 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -118.31 140.79 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.027 0.442 . . . . 0.0 111.632 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.539 HD13 ' CB ' ' A' ' 52' ' ' PHE . 31.9 tp -138.04 140.58 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.726 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.662 HG22 ' HB2' ' A' ' 15' ' ' GLU . 10.7 pt -134.68 120.25 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 34' ' ' ALA . 3.2 mp -109.9 133.96 52.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -111.8 95.2 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.653 ' CD2' HG22 ' A' ' 39' ' ' VAL . 13.6 mt -70.63 178.18 3.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -81.99 -21.5 37.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -133.31 26.76 4.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.959 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 11' ' ' GLN . . . 178.14 162.98 0.65 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 111.315 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.95 110.35 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.46 140.13 40.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.023 0.439 . . . . 0.0 111.19 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.662 ' HB2' HG22 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -147.83 140.28 24.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.79 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.86 172.08 18.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.399 . . . . 0.0 111.337 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.794 HD12 ' HG2' ' A' ' 4' ' ' LYS . 21.7 mm -130.17 129.34 65.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HE3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.62 134.22 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.932 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 32.4 mt-10 -87.48 133.72 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.244 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.824 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.2 mt -142.5 -172.87 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.598 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.2 m -105.13 -46.81 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.682 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 21' ' ' VAL . 5.2 t70 -134.5 169.69 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.634 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -73.59 -44.33 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.63 -50.3 24.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.258 0.551 . . . . 0.0 109.762 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -41.34 72.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.432 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.492 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -51.48 -53.5 36.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 48.7 mt-10 -51.43 -35.06 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.396 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -52.3 43.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.931 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 10.1 t80 -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.622 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.46 -47.87 38.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.754 -179.202 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tttp -59.96 -34.75 73.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.667 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.0 t80 -78.36 -55.25 5.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.325 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.9 -21.4 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.602 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -85.92 -53.61 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.195 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.62 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 1.5 mmtt -70.85 -68.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.143 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.75 ' OG1' HD22 ' A' ' 7' ' ' LEU . 19.3 p -119.73 -155.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.69 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.653 HG22 ' CD2' ' A' ' 9' ' ' LEU . 33.1 m -101.92 175.71 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -128.24 131.14 48.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.26 -100.18 0.58 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.692 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.4 t -90.84 105.84 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.403 0.621 . . . . 0.0 111.051 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -81.1 144.66 31.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.379 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' THR . 64.6 p -156.42 114.69 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -89.85 154.12 20.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.41 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 125.52 43.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.16 24.42 4.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.397 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -28.68 28.67 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.227 0.537 . . . . 0.0 110.993 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -177.36 38.14 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.597 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.44 77.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 4' ' ' LYS . 68.2 m -141.51 127.59 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.322 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.539 ' CB ' HD13 ' A' ' 5' ' ' LEU . 44.2 m-85 -94.95 150.0 20.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.4 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' THR . 75.6 m -143.73 114.26 7.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.395 . . . . 0.0 111.286 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 8.7 p -132.93 151.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.735 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.97 175.48 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.623 ' HG3' HG21 ' A' ' 39' ' ' VAL . 5.4 tt0 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.532 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 120.903 0.382 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.5 m -119.75 117.07 27.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.617 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.4 m-85 -102.03 132.41 47.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.706 ' HB3' HG23 ' A' ' 51' ' ' THR . 17.1 ttpt -105.85 138.77 41.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.917 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 57.6 tp -138.38 135.59 35.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.584 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.683 HG22 ' CB ' ' A' ' 15' ' ' GLU . 8.2 pt -133.69 119.75 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.065 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.3 mp -108.05 133.72 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.64 102.95 9.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.688 HD21 HG22 ' A' ' 39' ' ' VAL . 13.1 mt -85.91 179.32 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.37 -1.45 58.06 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.339 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -118.74 -41.15 2.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 111.059 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.5 166.73 26.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 118.63 34.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -115.73 138.85 50.71 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.683 ' CB ' HG22 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -147.69 146.23 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.68 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.87 176.28 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 111.337 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.68 HD13 ' O ' ' A' ' 16' ' ' ALA . 5.9 mm -133.62 138.58 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.1 mmpt? -126.96 173.17 9.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.55 148.42 39.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.963 HD21 ' CG2' ' A' ' 25' ' ' THR . 0.1 OUTLIER -169.65 -170.0 0.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.231 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.608 ' H ' HD23 ' A' ' 20' ' ' LEU . 26.0 t -124.08 -36.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.451 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.513 ' O ' HD22 ' A' ' 20' ' ' LEU . 25.6 t0 -134.61 163.8 28.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.617 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -77.71 -32.45 52.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.267 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.01 49.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.32 0.581 . . . . 0.0 109.698 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.963 ' CG2' HD21 ' A' ' 20' ' ' LEU . 5.0 m -69.87 -43.19 72.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.776 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.643 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.35 -51.85 56.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.7 tt0 -51.62 -34.63 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.489 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -71.32 -46.87 59.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -75.99 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.23 -41.66 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.68 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.3 ttmt -69.61 -34.44 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -26.17 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CG ' ' HG3' ' A' ' 37' ' ' LYS . 5.7 t80 -79.35 -55.99 4.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.065 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -56.42 -27.02 55.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.61 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -85.9 -45.02 11.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 0.0 111.344 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.32 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.602 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -79.56 -72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.3 -179.705 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.628 ' O ' HG13 ' A' ' 39' ' ' VAL . 26.1 p -105.29 -84.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.047 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.688 HG22 HD21 ' A' ' 9' ' ' LEU . 2.9 m -161.83 175.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.401 . . . . 0.0 111.176 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -115.32 105.88 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.42 -134.36 4.55 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.358 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.827 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.0 m -61.36 158.76 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.628 0 CA-C-N 116.895 0.348 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -135.07 151.16 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.158 0.504 . . . . 0.0 111.629 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.42 144.54 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.212 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -124.98 149.29 47.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.335 . . . . 0.0 111.536 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -118.79 127.76 53.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.64 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -95.24 26.65 3.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.161 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -94.11 -31.22 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.86 32.84 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 12.8 mtmt 59.7 81.86 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.706 HG23 ' HB3' ' A' ' 4' ' ' LYS . 23.4 m -135.0 141.95 46.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -112.88 152.17 29.59 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.651 HG23 HG13 ' A' ' 6' ' ' ILE . 2.1 m -143.05 119.51 10.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.906 0.384 . . . . 0.0 111.054 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -138.35 136.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.658 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.09 167.49 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.112 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.737 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 90.0 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.796 0.331 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 2' ' ' THR . 14.8 t -119.61 117.06 27.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.812 ' HB2' HD12 ' A' ' 20' ' ' LEU . 1.9 m-85 -100.89 142.2 32.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.709 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.772 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -118.17 132.66 56.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.091 0.472 . . . . 0.0 111.617 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 27.0 tp -133.98 133.19 41.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.88 HG22 ' CB ' ' A' ' 15' ' ' GLU . 15.7 pt -129.49 122.89 56.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.976 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.3 mp -108.92 122.44 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.98 105.2 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' CD2' HG12 ' A' ' 39' ' ' VAL . 42.2 mt -92.98 169.74 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.665 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 54.45 3.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.029 0.443 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -176.36 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.98 157.54 40.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -103.85 118.14 35.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -115.71 117.97 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.88 ' CB ' HG22 ' A' ' 6' ' ' ILE . 4.6 pt-20 -130.22 149.86 51.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 168.06 28.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.54 HD12 ' CG ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -129.26 137.05 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 4.8 mmpt? -122.88 173.13 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.79 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 19.3 mt-10 -120.53 115.17 22.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.1 mt -137.84 -168.86 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 22' ' ' ASP . 16.9 m -118.79 -47.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.58 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 21' ' ' VAL . 30.7 t70 -123.75 164.33 19.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -73.67 -41.0 63.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.04 -49.7 40.01 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.182 0.515 . . . . 0.0 109.81 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.481 HG22 HD22 ' A' ' 20' ' ' LEU . 1.6 m -70.23 -42.22 72.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.565 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -51.62 -52.68 45.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.19 -35.71 37.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.425 178.322 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -50.95 66.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.706 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.7 -63.62 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.05 -50.89 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.89 -179.613 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 2.4 tttt -60.69 -42.09 96.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.705 0.288 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.68 69.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.2 -57.9 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.976 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -56.91 -31.5 64.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.323 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -73.17 -36.02 66.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.98 -54.88 3.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.494 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -56.51 -73.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.783 ' OG1' HD22 ' A' ' 7' ' ' LEU . 63.2 p -107.77 -158.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.631 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 9' ' ' LEU . 12.3 p -96.53 158.9 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.046 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -97.87 117.07 31.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.052 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.41 -142.02 5.05 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.64 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 54' ' ' VAL . 10.1 p -61.24 137.13 23.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 120.922 0.391 . . . . 0.0 110.963 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -109.74 133.34 53.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.393 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.93 108.33 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.234 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -89.84 148.46 23.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 111.401 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -119.47 122.12 40.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.76 36.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -98.66 -28.34 13.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.755 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -174.15 37.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.4 76.7 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.75 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.772 HG23 ' HB3' ' A' ' 4' ' ' LYS . 53.5 m -140.21 124.64 17.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.352 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 27' ' ' GLU . 40.1 m-85 -94.04 150.21 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.474 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -143.83 94.64 2.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 42' ' ' VAL . 8.0 p -116.41 137.57 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.721 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.524 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -141.14 169.48 17.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.9 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.718 0.294 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.784 HG22 HD11 ' A' ' 17' ' ' ILE . 27.5 m -116.84 117.02 28.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.59 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.2 m-85 -101.57 134.59 44.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.73 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.658 ' HB3' HG23 ' A' ' 51' ' ' THR . 8.6 tttp -111.74 141.42 45.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 111.507 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 6' ' ' ILE . 24.7 tp -137.75 142.9 40.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.4 tt -130.08 127.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.02 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.2 mp -124.34 125.76 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.839 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -108.98 95.93 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.604 HD11 ' HB ' ' A' ' 38' ' ' THR . 18.1 mt -82.35 172.4 13.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.712 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -33.8 76.47 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.248 0.547 . . . . 0.0 111.031 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -69.44 -52.1 30.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.7 173.8 8.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -89.36 123.35 33.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.33 133.71 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -127.97 154.7 45.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.89 166.1 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.276 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.784 HD11 HG22 ' A' ' 2' ' ' THR . 0.9 OUTLIER -135.89 125.89 41.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.87 136.65 50.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.714 -179.795 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.814 ' C ' HD22 ' A' ' 20' ' ' LEU . 1.5 mt-10 -89.93 134.79 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.003 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.814 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.6 mm? -138.91 -178.51 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.2 m -90.98 -45.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.304 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -140.87 -171.68 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.504 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.4 -45.96 11.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.271 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.59 -49.76 18.42 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.345 0.593 . . . . 0.0 110.007 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -70.55 -40.21 73.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.513 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.82 -54.06 33.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.8 mt-10 -51.62 -33.89 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.477 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.54 -46.8 58.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -74.61 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.891 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.87 -38.62 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.633 -179.269 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -70.1 -37.6 75.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 0.0 110.371 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.86 66.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.657 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 9.5 t80 -80.27 -57.33 3.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.02 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.64 -29.0 67.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.451 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -81.7 -29.16 33.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.54 -56.86 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.382 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -57.96 -60.96 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.594 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.829 ' OG1' HD22 ' A' ' 7' ' ' LEU . 10.5 p -113.38 -156.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.519 ' H ' HD21 ' A' ' 9' ' ' LEU . 12.4 t -100.44 160.73 3.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' HG12 ' A' ' 39' ' ' VAL . 11.3 tt0 -97.98 118.34 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.263 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.77 -138.27 4.16 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.816 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 54' ' ' VAL . 19.1 m -61.46 155.44 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -129.4 152.16 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.99 0.424 . . . . 0.0 111.678 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.46 162.53 39.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.087 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -138.28 148.91 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.087 0.47 . . . . 0.0 111.449 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -123.44 126.18 46.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.496 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.46 25.1 3.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.339 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 49' ' ' THR . 7.4 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -173.53 36.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 O-C-N 123.467 0.479 . . . . 0.0 110.726 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.45 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.663 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.658 HG23 ' HB3' ' A' ' 4' ' ' LYS . 62.4 m -142.24 127.18 18.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 111.451 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -96.23 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 6' ' ' ILE . 6.9 m -140.39 116.97 10.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -138.47 140.89 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.629 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.524 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -141.4 149.76 41.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.246 . . . . 0.0 111.174 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--O 1.254 1.312 0 CA-C-O 117.902 -1.046 . . . . 0.0 110.714 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.738 0.304 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.1 t -69.44 127.34 32.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.682 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.0 m-85 -100.88 142.11 32.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.805 ' HB2' HG23 ' A' ' 51' ' ' THR . 43.7 mttt -119.97 132.71 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.282 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 52' ' ' PHE . 42.6 tp -131.46 134.82 46.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.897 HG23 HG23 ' A' ' 53' ' ' THR . 1.9 tt -129.82 134.2 63.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.831 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.873 HD21 ' CB ' ' A' ' 34' ' ' ALA . 5.0 mp -125.66 134.15 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -124.75 111.97 16.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.799 HD11 HG23 ' A' ' 38' ' ' THR . 95.9 mt -104.71 174.6 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 2.86 39.29 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -167.6 32.63 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.011 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.64 ' HB3' HD12 ' A' ' 9' ' ' LEU . . . -176.88 99.13 0.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.922 0.392 . . . . 0.0 111.404 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 123.33 39.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.879 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -137.59 132.15 32.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.947 0.403 . . . . 0.0 111.11 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.14 132.71 25.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.496 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.765 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.82 174.17 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.765 HD13 ' O ' ' A' ' 16' ' ' ALA . 13.2 mm -133.65 145.66 33.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -127.32 173.11 10.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 5.4 mt-10 -120.66 116.31 25.05 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.793 HD22 HG22 ' A' ' 25' ' ' THR . 2.0 mt -138.17 -170.83 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.729 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.9 m -112.85 -47.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.632 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.8 p30 -126.9 175.27 8.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.926 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.675 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -81.44 -35.61 30.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.92 -50.24 47.08 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.263 0.554 . . . . 0.0 109.89 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.793 HG22 HD22 ' A' ' 20' ' ' LEU . 1.5 m -71.9 -42.13 67.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.758 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.697 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.67 -53.95 33.35 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.1 mt-10 -50.85 -35.37 32.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.35 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -48.68 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.998 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -75.37 -63.15 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.534 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -46.27 -39.9 10.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.133 -179.501 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 13.3 tttt -72.17 -44.24 63.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.821 0.343 . . . . 0.0 110.849 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -28.41 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.583 ' HE1' HD13 ' A' ' 7' ' ' LEU . 20.0 t80 -77.07 -55.35 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.873 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -65.22 -22.1 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.63 -38.12 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 -63.87 1.17 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.538 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.33 -33.03 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.799 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -128.86 -155.29 0.69 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.914 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.421 HG22 HD21 ' A' ' 9' ' ' LEU . 26.8 m -122.23 176.94 4.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.87 109.83 22.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.51 -147.44 6.98 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.422 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.44 106.05 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.385 0.612 . . . . 0.0 110.906 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -78.72 151.77 31.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.591 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.48 145.07 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.46 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 40.7 t80 -131.72 155.71 47.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.415 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -126.4 122.79 36.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.499 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -95.03 35.22 1.29 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 49' ' ' THR . 84.4 mt-10 -108.93 -32.03 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.315 0.578 . . . . 0.0 110.933 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 48' ' ' GLU . 23.1 p -159.88 29.18 0.18 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.657 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.4 75.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.717 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.805 HG23 ' HB2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -126.95 141.4 51.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 111.418 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.51 ' HB3' HD13 ' A' ' 5' ' ' LEU . 12.0 m-85 -119.97 145.09 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.486 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.897 HG23 HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -143.73 121.38 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 9.9 p -138.4 126.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.061 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.1 156.96 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.834 179.745 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.646 HG22 ' HD2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.763 0.316 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 2' ' ' THR . 12.4 t -69.58 120.55 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.602 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.8 m-85 -106.85 129.0 54.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.697 ' HB3' HG23 ' A' ' 51' ' ' THR . 4.0 tttt -108.26 143.02 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 52.4 tp -135.98 142.83 44.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.89 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.472 HG23 HG23 ' A' ' 53' ' ' THR . 3.4 tt -134.55 132.09 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.956 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.7 mp -122.4 133.85 54.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.223 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -126.24 84.5 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.59 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.928 HD22 ' CG2' ' A' ' 38' ' ' THR . 2.0 pt? -96.98 164.5 12.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -29.05 19.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.828 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 19.1 mm-40 -64.53 -48.75 73.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.665 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 179.2 -172.71 0.16 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -110.97 110.75 21.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.787 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -125.89 146.24 49.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -147.73 161.53 41.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.58 176.24 12.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 4' ' ' LYS . 5.5 tp -134.13 133.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mmpt? -125.56 173.03 9.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -125.18 132.31 53.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.694 HD13 ' HA ' ' A' ' 26' ' ' ALA . 1.9 mt -156.46 -167.82 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.58 -61.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.44 177.37 4.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.403 . . . . 0.0 110.977 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.79 -33.3 27.32 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.649 ' CG2' HD22 ' A' ' 20' ' ' LEU . 2.8 m -71.42 -43.82 66.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.733 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.694 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.01 -52.83 39.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 4.4 tm-20 -51.78 -34.87 41.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.276 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -48.89 65.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.058 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.99 -60.86 2.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.829 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.19 -45.67 44.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.777 -179.229 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.0 tmtm? -66.1 -32.23 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -30.9 70.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.66 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -74.89 -54.45 7.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.515 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.956 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.29 -26.94 65.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.369 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -79.31 -28.94 42.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.09 -62.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -62.76 -58.58 6.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.928 ' CG2' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -102.36 -155.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.2 t -115.91 168.8 7.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.817 0.341 . . . . 0.0 110.699 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' H ' HG12 ' A' ' 39' ' ' VAL . 61.2 tt0 -96.68 106.53 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.54 -127.27 2.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.422 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.0 t -61.81 160.1 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' N ' HG12 ' A' ' 42' ' ' VAL . 51.6 m95 -146.14 129.13 16.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.98 0.419 . . . . 0.0 111.249 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.11 116.66 6.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.609 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -91.19 151.56 20.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.31 85.15 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.676 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -20.33 48.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -52.04 -32.68 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -154.54 25.16 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.874 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.646 ' HD2' HG22 ' A' ' 1' ' ' THR . 0.1 OUTLIER 52.73 75.45 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.19 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 4' ' ' LYS . 91.2 m -141.84 123.54 15.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HB2' HD13 ' A' ' 5' ' ' LEU . 50.6 m-85 -90.52 148.92 22.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.472 HG23 HG23 ' A' ' 6' ' ' ILE . 13.1 m -136.71 122.32 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.4 p -138.54 146.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.14 134.69 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.744 0.307 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.765 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.74 0.305 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 t -72.21 125.91 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.76 ' HB2' HD23 ' A' ' 20' ' ' LEU . 5.0 m-85 -104.24 132.36 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.773 ' HD3' HD13 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -110.98 135.65 51.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 111.488 -179.335 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 41.8 tp -126.98 142.95 51.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.989 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 5' ' ' LEU . 4.9 tt -134.44 129.22 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.975 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.4 mp -123.39 128.9 50.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -104.0 92.09 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.674 HD21 HG22 ' A' ' 39' ' ' VAL . 6.7 mt -82.06 159.95 23.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.62 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -64.64 -31.75 73.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.093 0.473 . . . . 0.0 111.511 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -79.02 -48.96 13.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.829 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.74 175.11 14.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 118.57 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -115.1 128.91 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.53 140.03 25.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.26 175.1 10.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.773 HD13 ' HD3' ' A' ' 4' ' ' LYS . 6.7 tp -121.5 147.03 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 1.1 mmtp -133.38 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.074 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.806 ' C ' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -123.02 110.74 15.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.165 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 19' ' ' GLU . 2.1 mm? -131.71 -174.8 3.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.6 m -109.69 -46.6 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.44 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 9.5 p-10 -127.64 168.16 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.627 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -75.84 -39.64 56.28 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.178 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.573 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -49.3 -48.75 45.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 109.888 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -71.33 -41.78 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.634 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.54 -54.15 30.38 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 12.8 tt0 -51.19 -34.64 32.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.549 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -49.7 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.238 0.542 . . . . 0.0 110.142 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -71.99 -60.54 2.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.595 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.44 -48.97 47.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.748 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 8.5 ttpt -61.89 -34.76 76.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.664 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -28.28 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 6.9 t80 -79.2 -55.67 4.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.975 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -58.83 -23.43 60.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.49 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -84.26 -36.54 22.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.59 -59.29 2.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.296 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 2.4 mptp? -55.97 -43.44 77.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.734 ' OG1' HD22 ' A' ' 7' ' ' LEU . 13.3 p -143.06 -155.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.671 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.674 HG22 HD21 ' A' ' 9' ' ' LEU . 13.4 m -102.64 174.04 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.36 123.34 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.51 -120.12 2.26 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.453 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.2 t -69.23 112.68 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.306 0.574 . . . . 0.0 111.11 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -89.8 150.78 22.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.359 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.75 109.33 2.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.13 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -89.75 146.31 24.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.2 119.94 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.43 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.53 35.27 1.12 Allowed 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.249 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 49' ' ' THR . 31.3 tt0 -100.89 -31.58 11.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.476 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -162.91 30.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.356 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.63 80.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.49 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.4 m -142.66 134.81 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 111.394 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -104.77 131.95 51.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' THR . 63.8 m -118.84 118.13 30.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 11.1 p -138.33 142.42 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -141.48 172.65 12.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' HG23 ' A' ' 39' ' ' VAL . 3.7 tm-20 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.631 0.253 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 11.8 t -69.39 127.52 33.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.789 ' HB2' HD12 ' A' ' 20' ' ' LEU . 3.4 m-85 -106.3 135.67 47.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.732 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.834 ' CG ' HD12 ' A' ' 17' ' ' ILE . 6.9 mtmm -111.74 139.62 47.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.601 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 55.4 tp -137.88 136.04 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.563 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.856 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.1 pp -134.53 121.65 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.018 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.9 mp -104.85 130.97 52.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.78 100.63 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.602 HD21 HG12 ' A' ' 39' ' ' VAL . 11.0 mt -93.68 167.93 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -82.47 -21.53 35.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 111.585 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -96.67 -37.19 10.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.385 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.03 -178.91 6.64 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.21 111.57 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.736 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.81 126.03 52.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.856 ' HB3' HG22 ' A' ' 6' ' ' ILE . 19.8 mp0 -142.99 137.88 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.783 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.782 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -155.08 177.77 10.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.998 0.427 . . . . 0.0 111.469 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.834 HD12 ' CG ' ' A' ' 4' ' ' LYS . 30.7 mm -132.79 139.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.96 172.93 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.754 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.1 OUTLIER -120.3 124.85 46.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.789 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.7 mt -141.21 -172.87 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.66 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.4 -34.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 111.661 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.34 179.87 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.911 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.691 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -83.32 -43.97 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.345 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.5 -49.56 25.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.335 0.588 . . . . 0.0 110.012 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.594 HG22 HD22 ' A' ' 20' ' ' LEU . 1.3 m -71.67 -40.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.429 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.16 -53.53 41.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.3 tt0 -51.15 -35.42 35.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.319 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -50.65 63.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.994 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -71.62 -62.04 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.714 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.04 -48.67 32.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.99 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -61.46 -40.46 94.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -27.22 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.414 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 7.7 t80 -78.06 -56.89 4.12 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.018 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -55.78 -31.96 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -79.68 -29.29 40.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.592 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.6 -53.58 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.571 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 4.9 mptt -57.2 -64.94 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.616 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.759 ' OG1' HD22 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -108.83 -86.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.591 0.234 . . . . 0.0 111.628 -179.303 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.602 HG12 HD21 ' A' ' 9' ' ' LEU . 12.7 p -176.01 162.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.045 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -96.71 144.12 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.144 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.52 -129.75 1.08 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.134 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 54' ' ' VAL . 22.9 t -61.46 142.37 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -127.05 145.01 50.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.198 0.523 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.44 132.58 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.036 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -110.95 147.48 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.458 . . . . 0.0 111.509 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -116.27 124.95 51.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.465 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.91 23.72 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.362 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.71 -35.62 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -164.72 32.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 61.16 82.24 0.17 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 4' ' ' LYS . 89.6 m -143.26 130.12 20.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.481 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HB2' HD13 ' A' ' 5' ' ' LEU . 40.3 m-85 -100.19 150.79 22.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.438 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 44' ' ' THR . 1.6 t -143.96 106.18 4.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.922 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 42' ' ' VAL . 7.6 p -118.64 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.5 166.56 22.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.029 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.766 0.317 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.763 HG22 HD11 ' A' ' 17' ' ' ILE . 31.3 m -118.27 117.15 28.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.615 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.2 m-85 -101.0 133.88 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.736 ' HB3' HG23 ' A' ' 51' ' ' THR . 5.2 tttt -114.76 135.53 54.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.983 0.42 . . . . 0.0 111.574 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 20.0 tp -137.95 133.85 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.994 HD11 HG23 ' A' ' 53' ' ' THR . 2.2 pp -134.77 131.04 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.0 HD21 ' HB1' ' A' ' 34' ' ' ALA . 3.8 mp -118.17 134.03 55.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -120.39 130.34 54.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.583 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD11 ' HB ' ' A' ' 38' ' ' THR . 51.9 mt -120.6 -179.0 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.689 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -97.89 24.74 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -152.45 -45.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.6 145.77 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -117.31 124.38 48.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.181 0.515 . . . . 0.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -126.43 136.79 53.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.814 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.88 ' HB3' HG22 ' A' ' 6' ' ' ILE . 20.8 mt-10 -145.36 142.23 29.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.85 178.94 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.763 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -138.21 133.79 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.72 137.53 45.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -92.58 138.76 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.002 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.727 HD22 HG22 ' A' ' 25' ' ' THR . 1.5 mt -142.81 -176.41 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.4 m -95.09 -45.76 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.459 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -137.58 -177.86 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -83.26 -41.45 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.185 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.4 26.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.919 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.727 HG22 HD22 ' A' ' 20' ' ' LEU . 1.6 m -69.94 -41.36 74.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.72 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.1 -54.64 27.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -49.86 -35.09 22.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.583 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -51.02 40.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -71.1 -59.26 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.116 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.35 -52.61 44.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.936 -179.052 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.13 -32.25 70.83 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.13 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.787 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.452 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 3.1 t80 -72.21 -49.63 33.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.405 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.0 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -63.8 -25.64 68.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.567 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.75 -27.81 24.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.23 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.75 -40.86 11.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.38 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 4.7 mmpt? -73.52 -67.93 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.887 ' OG1' HD22 ' A' ' 7' ' ' LEU . 61.6 p -109.11 -158.85 0.66 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.658 HG23 ' CB ' ' A' ' 56' ' ' GLU . 4.4 m -98.22 172.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.775 0.321 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -100.83 123.28 44.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -138.52 -134.65 3.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.813 ' O ' HG23 ' A' ' 54' ' ' VAL . 27.3 m -61.76 157.44 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.536 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -136.36 109.49 7.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 109.56 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.354 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -89.95 156.73 18.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.431 . . . . 0.0 111.313 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.57 114.38 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.85 28.38 2.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -103.76 -28.57 11.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.162 0.506 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -158.21 27.75 0.25 Allowed 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.802 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.81 77.76 0.2 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 4' ' ' LYS . 75.2 m -142.12 127.06 18.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 111.298 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' HB2' HD13 ' A' ' 5' ' ' LEU . 44.5 m-85 -96.56 146.12 25.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.36 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.994 HG23 HD11 ' A' ' 6' ' ' ILE . 65.6 m -140.19 107.85 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.338 . . . . 0.0 111.393 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.1 p -122.59 140.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.436 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 2.2 m -134.95 152.3 51.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.688 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.658 ' CB ' HG23 ' A' ' 39' ' ' VAL . 4.3 tm-20 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 2' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.866 0.365 . . . . 0.0 111.089 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.695 HG22 HD11 ' A' ' 17' ' ' ILE . 32.7 m -118.26 116.94 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.612 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.5 m-85 -101.25 130.32 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HB3' HG23 ' A' ' 51' ' ' THR . 1.6 ttmt -112.56 138.84 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.231 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 41.6 tp -136.4 132.35 35.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.633 HG22 ' HB2' ' A' ' 15' ' ' GLU . 1.2 pt -130.23 122.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 34' ' ' ALA . 4.1 mp -107.23 133.65 51.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.93 70.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.649 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.871 HD12 ' HG2' ' A' ' 11' ' ' GLN . 1.9 pt? -78.24 170.03 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -50.75 11.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.871 ' HG2' HD12 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -59.07 -17.89 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -178.8 -168.0 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.191 0.52 . . . . 0.0 111.829 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -133.33 106.92 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -107.71 133.51 52.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.91 0.386 . . . . 0.0 111.395 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.633 ' HB2' HG22 ' A' ' 6' ' ' ILE . 2.9 pp20? -147.88 140.69 24.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.7 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.91 -178.3 7.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.956 0.408 . . . . 0.0 111.611 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.695 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -140.97 132.42 28.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.891 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -135.2 136.72 42.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 17.1 mt-10 -89.79 152.1 21.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.671 HD13 ' HA ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -163.35 -166.62 1.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.49 -48.21 10.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -135.31 -177.24 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.44 -36.51 20.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.0 -50.97 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.211 0.529 . . . . 0.0 109.613 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.585 ' CG2' HD22 ' A' ' 20' ' ' LEU . 2.6 m -70.79 -43.03 69.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.635 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.671 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.2 -53.22 37.02 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.4 tt0 -51.12 -34.94 32.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.452 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -68.13 -46.75 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.152 0.501 . . . . 0.0 110.181 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -76.75 -61.15 2.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.756 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.0 -37.41 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.852 -179.264 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 17.3 tttm -74.64 -34.32 62.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 110.405 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.46 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' HE1' HD13 ' A' ' 7' ' ' LEU . 6.5 t80 -79.76 -55.0 5.31 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.859 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.32 -35.82 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.6 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -76.73 -38.34 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.195 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.58 5.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.486 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -70.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.308 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.854 ' CG2' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -88.48 -156.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 40' ' ' GLU . 12.0 t -109.97 162.7 7.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 120.699 0.285 . . . . 0.0 110.812 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -97.0 106.07 18.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.996 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.74 -134.9 4.09 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.395 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.837 ' O ' HG23 ' A' ' 54' ' ' VAL . 18.0 t -61.7 155.52 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.402 ' N ' HG12 ' A' ' 42' ' ' VAL . 37.3 m95 -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.935 0.398 . . . . 0.0 111.573 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.844 ' OG1' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.48 155.26 31.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.254 179.675 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 63.5 t80 -130.7 155.21 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 111.292 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 1.6 mmmm -121.26 122.98 41.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.26 22.45 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -33.24 14.36 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.37 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -164.16 31.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 1.9 mttp 59.69 85.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.745 HG23 ' HB3' ' A' ' 4' ' ' LYS . 30.6 m -141.31 128.14 20.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 36.0 m-85 -100.39 150.31 22.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.445 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.844 HG23 ' OG1' ' A' ' 44' ' ' THR . 0.6 OUTLIER -143.92 120.47 11.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 111.192 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -133.41 122.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 t -119.76 168.57 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.768 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.756 0.313 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.563 HG22 HD11 ' A' ' 17' ' ' ILE . 32.5 m -69.5 123.61 21.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.74 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.2 m-85 -100.8 140.8 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.645 ' HB3' HG23 ' A' ' 51' ' ' THR . 2.3 tttt -117.81 132.3 56.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.355 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 42.5 tp -126.4 135.67 51.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.67 133.85 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.846 HD23 HG13 ' A' ' 54' ' ' VAL . 1.2 mp -128.77 133.83 48.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -114.33 119.15 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 9' ' ' LEU . 5.7 mt -101.69 -178.89 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -91.44 49.48 1.6 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.14 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.38 146.39 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.76 123.77 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.629 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.08 138.7 54.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.26 142.59 30.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.669 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.18 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.609 HD12 ' CB ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -126.76 134.48 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 6.9 mmpt? -126.27 173.21 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.08 123.63 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.858 HD22 HG23 ' A' ' 25' ' ' THR . 2.3 mt -142.5 -173.45 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.937 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 22' ' ' ASP . 35.5 m -103.98 -47.55 10.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 120.804 0.335 . . . . 0.0 111.537 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.505 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -137.09 -173.86 3.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.295 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -81.49 -31.86 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.708 0.29 . . . . 0.0 110.71 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.85 73.57 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.292 0.568 . . . . 0.0 109.603 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.858 HG23 HD22 ' A' ' 20' ' ' LEU . 2.8 t -70.53 -43.28 69.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.792 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.688 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.78 -56.61 14.41 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 17.5 tt0 -46.53 -36.48 6.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.704 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -51.96 38.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.032 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 t80 -70.95 -59.64 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.127 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -50.92 -50.03 58.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.032 -179.097 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 10.3 tttt -62.48 -30.57 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.579 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -29.04 64.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 8.1 t80 -74.99 -56.66 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.746 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.97 -21.84 46.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.477 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -83.73 -36.3 23.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 111.279 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 -22.82 19.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.731 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -99.94 -69.44 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.337 -179.585 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.426 HG22 ' HG ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -99.37 -155.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.899 -179.628 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.3 t -115.61 167.78 7.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.662 0.268 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' H ' HG12 ' A' ' 39' ' ' VAL . 9.0 pt-20 -96.8 111.6 23.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.86 -139.15 5.44 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.033 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 55' ' ' THR . 5.1 m -74.82 100.41 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 CA-C-O 121.357 0.598 . . . . 0.0 110.98 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.402 ' CD1' HG21 ' A' ' 54' ' ' VAL . 23.8 m95 -74.43 149.13 40.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.682 -179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.447 ' HB ' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.6 168.39 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.033 179.265 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -139.94 145.71 38.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.533 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -116.28 129.59 56.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.13 18.53 9.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.539 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 49' ' ' THR . 4.7 mm-40 -79.66 -31.97 41.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 110.983 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -172.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.48 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.51 79.66 0.22 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.4 m -135.64 124.45 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.529 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' HD12 ' A' ' 5' ' ' LEU . 37.6 m-85 -90.65 123.54 34.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' HB ' ' A' ' 44' ' ' THR . 9.8 t -121.73 118.7 29.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 110.79 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.846 HG13 HD23 ' A' ' 7' ' ' LEU . 10.1 p -138.37 140.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.73 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.552 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -140.73 153.71 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.949 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 2' ' ' THR . 1.3 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.94 0.4 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.468 ' H ' HG22 ' A' ' 1' ' ' THR . 15.3 t -69.55 125.08 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.638 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.1 m-85 -100.72 137.41 39.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.87 ' CG ' HD12 ' A' ' 17' ' ' ILE . 23.4 mtmt -114.29 131.43 56.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 0.0 111.404 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 27.4 tp -128.4 138.22 52.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.717 HG22 ' CB ' ' A' ' 15' ' ' GLU . 5.6 pt -134.69 118.09 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.857 HD21 ' CB ' ' A' ' 34' ' ' ALA . 2.2 mp -108.82 133.95 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -122.39 100.78 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.876 HD21 ' CG2' ' A' ' 39' ' ' VAL . 11.4 mt -93.78 178.01 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.794 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -79.7 -27.32 40.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -86.24 -49.1 7.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 149.57 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.12 50.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.503 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.28 144.95 46.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.717 ' CB ' HG22 ' A' ' 6' ' ' ILE . 8.0 pm0 -139.15 141.98 38.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.746 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.83 165.65 35.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.467 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.87 HD12 ' CG ' ' A' ' 4' ' ' LYS . 30.4 mm -123.64 139.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -133.21 169.81 16.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 3.1 pt-20 -102.82 137.6 40.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.416 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.937 HD11 HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -147.85 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.2 t -109.82 -33.76 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.89 178.08 8.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.638 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -84.04 -47.19 11.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.181 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.25 -49.59 17.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.937 HG22 HD11 ' A' ' 20' ' ' LEU . 5.8 m -70.41 -41.29 73.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.508 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -50.25 -54.98 17.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.16 -34.55 31.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.531 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -49.92 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.051 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.32 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.8 -53.29 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.616 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -31.73 70.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.515 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -31.0 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.422 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 5.6 t80 -75.81 -51.29 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.471 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.857 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -63.14 -25.16 68.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.512 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -79.11 -42.67 25.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.078 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.34 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 3.8 mptt -61.49 -69.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.581 ' OG1' HD22 ' A' ' 7' ' ' LEU . 16.8 p -108.67 -155.07 0.55 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.876 ' CG2' HD21 ' A' ' 9' ' ' LEU . 15.6 m -108.16 174.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-O 120.891 0.377 . . . . 0.0 111.076 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.99 128.6 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.17 -143.07 4.08 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.373 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.69 ' CG2' HG23 ' A' ' 55' ' ' THR . 30.7 m -61.64 132.49 27.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.085 0.469 . . . . 0.0 110.4 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CD2' ' HB ' ' A' ' 54' ' ' VAL . 54.9 m95 -109.59 148.37 31.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.457 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' THR . 53.4 p -154.65 111.26 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.077 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 65.0 t80 -89.73 154.61 19.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.428 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -124.06 128.69 49.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.677 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.03 27.91 3.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 49' ' ' THR . 4.9 tt0 -86.02 -35.06 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.336 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -172.24 39.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.0 mttt 61.57 79.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.659 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 4' ' ' LYS . 40.1 m -138.47 126.32 22.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.48 . . . . 0.0 111.376 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 15.5 m-85 -97.38 146.91 24.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.154 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' THR . 78.9 m -143.73 109.89 5.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 111.044 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 42' ' ' VAL . 10.1 p -128.22 140.95 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.69 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -140.94 170.24 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.972 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 2' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.749 0.309 . . . . 0.0 111.16 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.619 HG22 HD11 ' A' ' 17' ' ' ILE . 54.5 m -69.47 117.18 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.644 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.2 m-85 -102.1 135.41 43.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.679 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.4 OUTLIER -113.29 135.86 53.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.43 -179.651 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 49.6 tp -133.59 137.24 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.804 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.919 HG22 ' HB2' ' A' ' 15' ' ' GLU . 12.2 pt -134.62 120.3 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.02 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.5 mp -110.13 129.08 55.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.61 97.02 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.726 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.4 pt? -100.75 -179.1 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -75.76 -57.17 4.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.692 ' HG2' HD12 ' A' ' 9' ' ' LEU . 5.9 pt20 -60.7 -18.0 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -179.17 -170.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 112.227 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -133.38 110.64 10.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -107.54 129.57 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.935 0.397 . . . . 0.0 111.331 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.919 ' HB2' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -147.77 140.79 24.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.521 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.9 175.81 13.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 111.41 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.619 HD11 HG22 ' A' ' 2' ' ' THR . 0.9 OUTLIER -128.63 134.64 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.922 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -128.68 173.2 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.918 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.764 ' C ' HD22 ' A' ' 20' ' ' LEU . 3.4 mt-10 -118.57 137.75 53.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' C ' ' A' ' 19' ' ' GLU . 2.6 mm? -146.92 -177.03 5.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.7 t -100.88 -30.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.001 0.429 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.25 177.48 11.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.135 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.644 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -71.87 -31.5 66.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.692 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -52.0 60.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.068 0.461 . . . . 0.0 109.783 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.457 HG23 HD12 ' A' ' 20' ' ' LEU . 1.6 t -71.19 -38.25 72.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.088 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -54.94 -56.61 17.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.0 mt-10 -48.12 -35.19 11.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.874 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -72.48 -46.82 53.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.306 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -75.27 -57.25 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -54.65 -40.59 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.059 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 14.5 tttt -69.49 -43.88 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.714 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -32.84 73.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.026 0.441 . . . . 0.0 110.339 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 5.4 t80 -69.04 -53.61 19.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.259 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.02 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -63.17 -27.06 69.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.61 -36.05 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.68 -28.04 16.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.599 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' CE ' ' CE2' ' A' ' 33' ' ' TYR . 2.1 mptp? -67.18 -79.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.505 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.586 ' CG2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.32 -94.92 0.42 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.39 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 40' ' ' GLU . 4.4 t -152.09 164.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.787 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' N ' HG12 ' A' ' 39' ' ' VAL . 5.8 mm-40 -96.8 105.88 18.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.37 -134.62 4.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.187 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.814 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.1 m -61.52 153.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.237 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -132.42 133.24 43.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.99 114.54 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.404 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -93.96 151.38 19.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.493 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.36 86.42 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.576 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -20.31 40.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -32.61 9.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.585 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.77 29.18 0.12 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 4.3 mttp 55.73 81.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.055 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 4' ' ' LYS . 90.0 m -144.71 121.82 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.255 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -92.61 148.58 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.449 HG23 HG13 ' A' ' 6' ' ' ILE . 42.1 m -142.26 107.16 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 111.129 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.6 p -123.95 138.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.568 HG23 ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -140.98 172.26 12.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.221 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.92 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.73 HG22 HD11 ' A' ' 17' ' ' ILE . 24.6 m -92.46 117.19 29.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.649 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.6 m-85 -103.6 132.07 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.692 ' HG3' HD12 ' A' ' 17' ' ' ILE . 11.0 ttmt -112.88 140.07 47.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 111.661 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 43.1 tp -138.01 135.96 36.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.829 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.694 HG13 HG23 ' A' ' 53' ' ' THR . 14.4 pt -129.4 122.94 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.026 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.6 mp -113.41 133.98 54.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.961 0.41 . . . . 0.0 111.301 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.82 68.07 0.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.686 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -76.32 152.92 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 -179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -42.04 39.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.574 ' HB3' HD12 ' A' ' 9' ' ' LEU . 4.9 tt0 -58.11 -36.71 73.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.91 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' GLN . . . 177.69 173.33 0.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -107.6 118.43 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -121.33 145.66 47.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.68 ' CB ' HG22 ' A' ' 6' ' ' ILE . 6.7 pt-20 -147.71 144.08 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.78 175.1 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.359 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.73 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -133.83 126.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.901 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.71 136.44 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.668 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 152.32 21.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -151.68 -172.95 4.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.784 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.57 -33.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -153.21 178.18 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.649 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -79.09 -48.69 13.89 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.74 -50.82 13.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.225 0.536 . . . . 0.0 109.814 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -68.69 -40.89 79.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.461 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HA ' HD22 ' A' ' 20' ' ' LEU . . . -52.08 -50.81 60.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -53.67 -34.35 58.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.542 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -67.28 -47.91 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 109.974 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -75.05 -62.97 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.134 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.633 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -47.52 -44.75 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.889 -179.248 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -66.37 -43.61 85.44 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.751 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -23.62 67.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.448 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.5 t80 -76.36 -53.77 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.026 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -64.39 -29.28 70.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -78.11 -47.47 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.302 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 -53.52 7.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.47 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -57.73 -70.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.448 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.758 ' OG1' HD22 ' A' ' 7' ' ' LEU . 13.6 p -104.85 -157.11 0.6 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.829 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 m -96.44 174.36 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -102.4 136.99 41.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.47 -145.39 4.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 54' ' ' VAL . 8.9 p -61.31 159.16 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 120.545 0.212 . . . . 0.0 110.447 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.492 ' N ' HG22 ' A' ' 42' ' ' VAL . 28.6 m95 -132.68 137.0 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.002 0.43 . . . . 0.0 111.57 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.83 153.54 41.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.188 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -129.75 148.01 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 111.393 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -117.19 123.71 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.481 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.06 25.96 3.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.453 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.61 -33.76 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.41 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -164.94 32.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.298 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.6 mttp 60.64 84.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.601 HG23 ' HB3' ' A' ' 4' ' ' LYS . 90.2 m -142.54 129.47 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.399 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' HB2' HD13 ' A' ' 5' ' ' LEU . 60.7 m-85 -96.13 154.37 17.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.694 HG23 HG13 ' A' ' 6' ' ' ILE . 3.1 m -143.7 108.96 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.375 . . . . 0.0 111.625 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.8 p -127.88 133.95 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.239 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.583 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -139.5 155.27 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 0.0 111.319 -179.602 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.915 -179.755 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.894 0.378 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 2' ' ' THR . 15.2 t -92.47 119.67 32.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.608 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.5 m-85 -101.73 136.33 41.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.651 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -113.13 134.26 54.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 111.625 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 47.5 tp -130.03 140.34 50.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.633 HG23 HG23 ' A' ' 53' ' ' THR . 3.9 tt -125.9 133.11 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.868 HD21 ' CB ' ' A' ' 34' ' ' ALA . 2.9 mp -127.19 133.97 50.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' CB ' ' HB ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -119.07 93.8 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.554 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.783 HD11 ' HB ' ' A' ' 38' ' ' THR . 14.9 mt -90.7 169.44 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -30.07 64.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.072 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -78.4 -56.15 4.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.776 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.02 163.07 40.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -92.21 124.3 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -110.95 133.78 53.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -147.82 132.95 18.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.741 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.92 171.25 20.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 111.383 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.457 HD12 ' CB ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -126.51 133.8 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.856 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -131.3 137.14 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.958 -179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.796 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -84.17 142.87 30.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 19' ' ' GLU . 2.4 mm? -147.51 -177.08 5.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.777 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' H ' HG21 ' A' ' 25' ' ' THR . 20.7 t -92.82 -32.12 4.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.88 -164.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.301 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.608 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -84.22 -41.55 16.83 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.84 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.36 -48.89 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 109.799 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.443 HG21 ' H ' ' A' ' 21' ' ' VAL . 5.2 t -69.72 -41.15 75.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.628 178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.55 -55.81 16.99 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HG2' ' CE2' ' A' ' 52' ' ' PHE . 18.5 mt-10 -49.74 -33.96 17.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.886 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -73.34 -46.06 51.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.177 0.513 . . . . 0.0 110.314 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -76.24 -58.43 3.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.09 -31.16 40.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.755 -179.168 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 44.2 tttt -77.68 -34.54 52.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -22.99 63.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.493 ' HE1' HD13 ' A' ' 7' ' ' LEU . 11.1 t80 -82.83 -53.31 5.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.868 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -65.78 -27.58 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.428 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -80.26 -39.89 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 -62.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.333 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.8 57.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.783 ' HB ' HD11 ' A' ' 9' ' ' LEU . 11.5 p -143.22 -155.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.053 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 40' ' ' GLU . 1.3 t -110.15 173.89 2.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.978 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.589 ' H ' HG12 ' A' ' 39' ' ' VAL . 5.3 tt0 -96.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -167.96 -141.45 3.19 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.776 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 20.4 t -77.07 110.51 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.339 0.59 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -84.82 147.76 26.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.78 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.407 ' HB ' ' HB ' ' A' ' 53' ' ' THR . 48.2 m -156.47 139.58 15.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.223 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 56.3 t80 -119.83 153.73 35.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.074 0.464 . . . . 0.0 111.663 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.3 117.31 22.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 28.54 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.32 -28.73 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.471 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.13 28.16 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 54.18 77.22 0.2 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.967 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.608 HG23 ' HB3' ' A' ' 4' ' ' LYS . 59.5 m -140.12 122.51 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 111.702 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 29.8 m-85 -94.67 154.05 17.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.34 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.633 HG23 HG23 ' A' ' 6' ' ' ILE . 92.3 m -143.87 122.08 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.642 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -138.51 130.85 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.856 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.407 ' HB ' ' CB ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -132.17 132.0 42.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.029 -179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.669 ' HB3' HD23 ' A' ' 9' ' ' LEU . 1.4 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 2' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.814 0.34 . . . . 0.0 111.243 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.687 HG22 HD11 ' A' ' 17' ' ' ILE . 89.3 m -69.54 119.44 13.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.773 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.668 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.0 m-85 -107.0 128.13 54.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.9 OUTLIER -108.81 136.59 48.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.366 -179.675 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 34' ' ' ALA . 63.6 tp -127.41 143.02 51.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.0 tt -130.58 126.33 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.088 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.036 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.2 mp -119.51 124.88 47.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -113.17 105.83 13.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.544 HD13 HE21 ' A' ' 11' ' ' GLN . 13.2 mt -87.7 -179.06 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -97.05 31.5 2.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.544 HE21 HD13 ' A' ' 9' ' ' LEU . 3.9 pt20 -153.59 -46.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.928 0.394 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.25 162.71 34.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -100.3 121.76 42.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -116.12 130.73 56.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -147.74 138.09 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.13 173.14 11.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.687 HD11 HG22 ' A' ' 2' ' ' THR . 0.4 OUTLIER -136.17 122.68 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -130.75 137.5 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.534 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.821 ' C ' HD22 ' A' ' 20' ' ' LEU . 33.2 tt0 -95.27 133.4 39.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.821 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.4 mm? -136.82 -174.66 3.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.609 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 22' ' ' ASP . 14.7 p -99.16 -45.75 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.796 0.332 . . . . 0.0 111.467 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' N ' HG13 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -134.77 170.54 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.668 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -74.44 -43.92 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.186 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.92 25.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.349 0.595 . . . . 0.0 109.898 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -40.88 73.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.587 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -52.55 -52.3 55.57 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 29.7 tt0 -52.84 -33.84 51.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.786 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -73.04 -48.48 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 110.279 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 7.9 t80 -71.58 -58.86 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.913 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.5 -27.87 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.564 -179.078 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.1 tmtt? -76.58 -32.87 58.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 110.131 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -25.8 63.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.766 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 6.1 t80 -80.45 -55.4 4.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.036 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -58.87 -29.44 66.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -82.24 -29.18 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.023 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -53.11 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 12.8 mptt -58.5 -68.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.053 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.696 ' OG1' HD22 ' A' ' 7' ' ' LEU . 41.3 p -111.51 -157.43 0.62 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.506 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.5 t -94.57 166.93 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.664 0.269 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' H ' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -96.94 119.45 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 111.01 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.69 -140.16 5.3 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.565 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.846 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.3 p -61.4 159.04 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.48 ' N ' HG22 ' A' ' 42' ' ' VAL . 30.9 m95 -133.98 138.78 45.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.028 0.442 . . . . 0.0 111.582 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.47 152.34 30.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.124 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -125.12 151.25 45.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.441 . . . . 0.0 111.326 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -120.92 117.01 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.427 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.54 28.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 -30.45 11.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.522 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -159.67 28.59 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.96 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mttt 56.26 79.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 4' ' ' LYS . 89.4 m -145.14 129.7 17.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.315 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.48 151.37 19.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -133.89 117.11 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 111.12 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.9 p -138.57 138.36 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.527 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.467 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -141.44 128.05 20.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.371 . . . . 0.0 110.801 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.892 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.803 0.335 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.7 m -119.54 117.1 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.568 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.4 m-85 -106.87 127.33 53.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.737 ' CG ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -112.66 137.23 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.307 -179.62 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 34' ' ' ALA . 53.0 tp -131.71 136.45 47.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.633 HG22 ' CB ' ' A' ' 15' ' ' GLU . 14.4 pt -134.88 122.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.935 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.042 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.3 mp -113.01 134.07 54.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.2 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -122.54 125.4 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.896 HD11 ' HB ' ' A' ' 38' ' ' THR . 15.7 mt -119.42 -179.32 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -11.15 44.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.3 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.95 -33.18 6.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.115 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.36 145.21 6.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.15 123.54 48.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.781 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -122.82 153.25 39.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.633 ' CB ' HG22 ' A' ' 6' ' ' ILE . 1.9 pt-20 -145.26 157.5 44.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.8 171.07 20.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.737 HD12 ' CG ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -135.14 125.59 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 5.9 mmpt? -121.32 172.44 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.691 ' O ' HD22 ' A' ' 20' ' ' LEU . 6.6 pt-20 -125.42 131.49 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -150.51 -165.55 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.905 179.746 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 22' ' ' ASP . 10.2 p -125.43 -45.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.276 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' N ' HG13 ' A' ' 21' ' ' VAL . 2.7 m-20 -122.69 140.36 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -59.9 -27.45 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.376 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.46 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.316 0.579 . . . . 0.0 109.557 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.772 HG21 HD11 ' A' ' 20' ' ' LEU . 2.5 m -71.61 -44.59 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.864 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.28 -51.81 56.39 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.8 tm-20 -51.04 -35.59 35.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.621 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -67.34 -49.25 64.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.17 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -73.2 -61.02 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.026 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.31 -47.2 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.781 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -63.85 -39.89 95.27 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.513 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -61.21 -30.28 70.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.467 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 2.8 t80 -78.4 -49.84 12.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.339 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.042 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -67.71 -31.52 71.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.587 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -79.67 -28.19 40.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.318 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 -53.09 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 111.526 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 2.2 mmtt -60.76 -67.55 0.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.294 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.896 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.2 p -109.47 -156.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 40' ' ' GLU . 19.8 t -103.72 159.45 4.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.691 0.281 . . . . 0.0 111.067 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 39' ' ' VAL . 3.2 mt-10 -99.31 113.92 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.54 -132.84 4.12 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.445 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 42' ' ' VAL . 31.3 m -70.09 113.27 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.435 0.636 . . . . 0.0 111.227 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -86.12 150.39 24.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER -156.4 113.69 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -94.87 150.47 20.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.032 0.444 . . . . 0.0 111.434 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.24 125.86 48.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.61 27.29 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.59 -35.88 15.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.126 0.488 . . . . 0.0 110.513 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 m -165.33 35.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.755 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 82.37 0.17 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.589 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 4' ' ' LYS . 85.8 m -138.74 137.51 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.419 . . . . 0.0 111.458 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -109.43 136.27 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.35 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' THR . 68.3 m -131.77 116.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 111.181 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -135.65 135.41 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.433 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 2' ' ' THR . 14.4 t -118.95 117.1 27.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.603 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.7 m-85 -106.28 130.47 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.683 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -111.5 137.86 48.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.644 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD11 HG12 ' A' ' 54' ' ' VAL . 29.4 tp -133.43 129.24 37.04 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.692 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.875 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.7 pt -123.55 117.5 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.123 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.1 mp -107.76 134.01 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.94 110.04 15.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.64 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.767 HD11 ' HB ' ' A' ' 38' ' ' THR . 98.6 mt -97.77 -178.93 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.197 0.522 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.27 46.03 1.15 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -166.05 -43.86 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.089 0.471 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.75 156.16 39.71 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.28 121.87 44.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.069 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -119.97 127.25 52.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.875 ' HB3' HG22 ' A' ' 6' ' ' ILE . 18.3 mt-10 -136.32 147.17 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 172.27 18.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.414 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.622 HD12 ' CB ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -132.58 128.82 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -130.38 137.92 50.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.743 ' O ' HD22 ' A' ' 20' ' ' LEU . 3.0 mp0 -84.6 145.99 27.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.743 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -149.41 -166.25 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.576 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 22' ' ' ASP . 25.7 m -111.13 -46.75 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.274 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -138.49 179.49 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.623 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.45 -41.39 19.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.191 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.85 -50.02 36.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.273 0.559 . . . . 0.0 109.801 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.411 HG22 ' CD1' ' A' ' 20' ' ' LEU . 1.7 m -70.66 -42.09 71.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.742 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.47 -53.3 38.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 3.3 mm-40 -51.6 -34.74 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.571 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -47.72 64.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.102 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -75.16 -60.63 2.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.92 -39.7 40.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.858 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 33.8 tttt -69.23 -46.84 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.69 -25.43 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.763 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -77.79 -58.25 3.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.123 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -57.22 -21.6 34.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.736 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.85 -39.34 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.64 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.5 -22.38 19.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -84.69 -37.09 21.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.668 0.271 . . . . 0.0 111.363 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.767 ' HB ' HD11 ' A' ' 9' ' ' LEU . 81.4 p -140.57 -81.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.257 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.653 HG12 HD21 ' A' ' 9' ' ' LEU . 11.3 p -173.54 159.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.051 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -98.56 108.72 21.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.27 -138.68 4.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.83 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 54' ' ' VAL . 7.9 p -61.3 158.92 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.493 ' N ' HG22 ' A' ' 42' ' ' VAL . 64.0 m95 -135.61 146.18 47.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 111.556 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.3 113.56 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.263 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 70.3 t80 -94.18 150.01 20.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 111.477 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -120.56 128.01 52.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.61 26.72 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.389 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -39.75 15.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.96 0.409 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.28 38.65 0.08 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mttp 60.77 78.86 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.758 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 4' ' ' LYS . 57.5 m -135.45 143.92 46.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.357 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 m-85 -115.09 153.88 29.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.747 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.759 HG23 ' CD1' ' A' ' 6' ' ' ILE . 26.9 m -143.71 111.6 6.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.0 p -131.98 136.25 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.655 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -141.19 171.66 13.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.001 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.83 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.998 0.428 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.848 HG22 HD11 ' A' ' 17' ' ' ILE . 31.0 m -119.5 117.21 27.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.669 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.1 m-85 -107.14 134.74 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.593 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -109.38 141.78 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 111.492 -179.345 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 34' ' ' ALA . 37.7 tp -137.98 142.94 40.45 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.599 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 5' ' ' LEU . 6.3 tt -131.87 127.08 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.93 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.017 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.1 mp -120.75 126.56 50.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.214 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.49 95.48 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.76 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' HB ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -90.72 177.69 6.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -84.97 -27.03 26.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.263 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.08 -40.15 31.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.61 168.06 4.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 0.0 111.393 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -94.51 121.62 36.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -123.58 121.27 35.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.938 0.399 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -147.7 133.23 18.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.79 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.848 HD11 HG22 ' A' ' 2' ' ' THR . 0.6 OUTLIER -128.47 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.8 mmpt? -122.13 173.27 7.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.685 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.789 ' C ' HD22 ' A' ' 20' ' ' LEU . 59.7 mt-10 -122.05 127.68 50.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.789 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.2 mm? -144.07 -177.02 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.624 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 t -103.53 -34.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.419 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 8.5 p-10 -145.09 -175.75 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.23 -44.78 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.318 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -46.44 -51.38 15.23 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.318 0.58 . . . . 0.0 110.028 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -68.97 -40.61 78.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.43 -52.74 52.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -51.53 -34.45 36.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.387 178.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -69.69 -50.11 47.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.259 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -71.43 -59.16 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.968 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.61 -43.38 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -179.07 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 21.6 tttt -63.59 -38.57 91.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.36 -24.2 66.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.442 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -82.31 -56.66 3.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.017 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.65 -29.72 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.49 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -83.86 -26.79 29.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.417 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.67 -54.74 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.583 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -57.89 -53.64 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.502 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.702 ' OG1' HD22 ' A' ' 7' ' ' LEU . 40.6 p -122.1 -89.27 0.6 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.536 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.531 HG12 HD11 ' A' ' 9' ' ' LEU . 13.4 p -178.28 160.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.662 0.268 . . . . 0.0 111.054 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' N ' HG22 ' A' ' 39' ' ' VAL . 27.9 mt-10 -96.99 130.95 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.81 -118.24 1.72 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.155 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.728 ' CG2' HG23 ' A' ' 55' ' ' THR . 30.2 m -83.66 103.77 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 121.314 0.578 . . . . 0.0 110.9 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -82.15 145.22 30.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.844 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' THR . 4.3 p -156.61 109.57 2.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 62.7 t80 -89.94 154.57 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 111.486 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.34 119.37 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 44.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.316 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.71 ' O ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -105.04 -30.07 10.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.565 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -172.55 39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.338 -179.79 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.01 71.49 0.56 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.773 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 4' ' ' LYS . 47.6 m -131.68 144.28 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 0.0 111.505 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 27' ' ' GLU . 26.4 m-85 -117.84 150.24 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.461 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' THR . 58.4 m -142.38 114.63 8.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.697 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 12.7 p -138.56 139.71 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.728 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -141.32 167.55 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.763 0.316 . . . . 0.0 111.136 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.989 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.876 0.37 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.591 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 1.7 m-85 -100.44 132.85 45.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.712 ' HG2' HG23 ' A' ' 17' ' ' ILE . 18.7 mttp -115.89 136.49 52.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 29.2 tp -135.9 137.64 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.808 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.2 pt -134.56 126.78 48.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.082 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.0 mp -112.08 133.93 53.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -119.37 98.94 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.818 HD11 ' HB ' ' A' ' 38' ' ' THR . 47.5 mt -82.79 -178.86 7.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -73.13 -24.08 60.56 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.57 45.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB3' HD12 ' A' ' 9' ' ' LEU . . . -173.59 98.28 0.11 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -84.79 116.04 23.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -125.38 128.14 47.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.808 ' HB3' HG22 ' A' ' 6' ' ' ILE . 1.9 mp0 -144.36 142.13 30.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.88 179.29 9.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.712 HG23 ' HG2' ' A' ' 4' ' ' LYS . 23.5 mm -137.6 130.5 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -133.41 136.96 45.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.823 ' O ' HD22 ' A' ' 20' ' ' LEU . 5.0 tt0 -89.49 144.47 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.85 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -148.21 -167.47 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.0 m -108.56 -46.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.388 . . . . 0.0 111.216 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.0 t70 -135.72 178.89 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.494 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.591 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.77 -40.2 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.07 -49.27 42.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 109.985 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -41.54 69.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.649 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.19 -53.79 38.87 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 26.1 tt0 -51.08 -34.81 31.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.276 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -47.94 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.112 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -75.08 -60.76 2.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.991 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.23 -45.38 44.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.916 -179.252 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -66.69 -41.19 88.46 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.927 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -29.88 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.65 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 5.2 t80 -75.71 -53.79 7.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.082 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -61.22 -27.2 68.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.4 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -84.58 -27.39 27.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.16 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 -52.51 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.318 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.02 -55.04 29.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.818 ' HB ' HD11 ' A' ' 9' ' ' LEU . 33.6 p -129.86 -157.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.545 ' H ' HD21 ' A' ' 9' ' ' LEU . 25.5 t -92.76 159.73 2.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -112.66 105.94 14.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.081 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.88 -124.08 4.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.992 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 54' ' ' VAL . 17.4 m -61.51 159.24 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.669 0.271 . . . . 0.0 110.333 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -137.52 106.51 5.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.31 110.98 19.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.457 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -91.17 146.37 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.69 125.11 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.782 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.43 41.58 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -28.77 10.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.439 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 t -174.04 39.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER 59.95 73.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -123.43 140.13 53.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.185 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.4 m-85 -118.94 131.5 56.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.499 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.759 HG23 HD11 ' A' ' 6' ' ' ILE . 6.4 m -127.01 120.74 29.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 42' ' ' VAL . 7.1 p -138.49 132.43 41.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.64 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.13 157.69 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.169 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.025 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 14.7 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.873 0.368 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.824 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.8 m-85 -103.43 136.45 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.794 ' HG2' HD12 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -118.31 140.79 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.027 0.442 . . . . 0.0 111.632 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.539 HD13 ' CB ' ' A' ' 52' ' ' PHE . 31.9 tp -138.04 140.58 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.726 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.662 HG22 ' HB2' ' A' ' 15' ' ' GLU . 10.7 pt -134.68 120.25 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 34' ' ' ALA . 3.2 mp -109.9 133.96 52.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -111.8 95.2 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.653 ' CD2' HG22 ' A' ' 39' ' ' VAL . 13.6 mt -70.63 178.18 3.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -81.99 -21.5 37.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 1.3 pp0? -133.31 26.76 4.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.959 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 11' ' ' GLN . . . 178.14 162.98 0.65 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 111.315 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.95 110.35 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.46 140.13 40.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.023 0.439 . . . . 0.0 111.19 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.662 ' HB2' HG22 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -147.83 140.28 24.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.79 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.86 172.08 18.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.399 . . . . 0.0 111.337 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.794 HD12 ' HG2' ' A' ' 4' ' ' LYS . 21.7 mm -130.17 129.34 65.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HE3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.62 134.22 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.932 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 32.4 mt-10 -87.48 133.72 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.244 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.824 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.2 mt -142.5 -172.87 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.598 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.2 m -105.13 -46.81 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.682 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 21' ' ' VAL . 5.2 t70 -134.5 169.69 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.634 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -73.59 -44.33 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.63 -50.3 24.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.258 0.551 . . . . 0.0 109.762 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -41.34 72.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.432 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.492 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -51.48 -53.5 36.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 48.7 mt-10 -51.43 -35.06 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.396 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -52.3 43.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.931 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 10.1 t80 -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.622 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.46 -47.87 38.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.754 -179.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tttp -59.96 -34.75 73.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.667 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.0 t80 -78.36 -55.25 5.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.325 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.9 -21.4 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.602 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -85.92 -53.61 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.195 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.62 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 1.5 mmtt -70.85 -68.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.143 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.75 ' OG1' HD22 ' A' ' 7' ' ' LEU . 19.3 p -119.73 -155.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.69 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.653 HG22 ' CD2' ' A' ' 9' ' ' LEU . 33.1 m -101.92 175.71 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -128.24 131.14 48.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.26 -100.18 0.58 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.692 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.4 t -90.84 105.84 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.403 0.621 . . . . 0.0 111.051 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -81.1 144.66 31.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.379 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' THR . 64.6 p -156.42 114.69 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -89.85 154.12 20.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.41 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 125.52 43.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.16 24.42 4.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.397 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -28.68 28.67 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.227 0.537 . . . . 0.0 110.993 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -177.36 38.14 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.597 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.44 77.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 4' ' ' LYS . 68.2 m -141.51 127.59 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.322 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.539 ' CB ' HD13 ' A' ' 5' ' ' LEU . 44.2 m-85 -94.95 150.0 20.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.4 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' THR . 75.6 m -143.73 114.26 7.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.395 . . . . 0.0 111.286 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 8.7 p -132.93 151.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.735 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.97 175.48 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.623 ' HG3' HG21 ' A' ' 39' ' ' VAL . 5.4 tt0 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.532 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.5 m . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.876 0.369 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.617 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.4 m-85 -102.03 132.41 47.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.706 ' HB3' HG23 ' A' ' 51' ' ' THR . 17.1 ttpt -105.85 138.77 41.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.917 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 57.6 tp -138.38 135.59 35.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.584 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.683 HG22 ' CB ' ' A' ' 15' ' ' GLU . 8.2 pt -133.69 119.75 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.065 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.3 mp -108.05 133.72 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.64 102.95 9.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.688 HD21 HG22 ' A' ' 39' ' ' VAL . 13.1 mt -85.91 179.32 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.37 -1.45 58.06 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.339 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -118.74 -41.15 2.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 111.059 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.5 166.73 26.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 118.63 34.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -115.73 138.85 50.71 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.683 ' CB ' HG22 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -147.69 146.23 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.68 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.87 176.28 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 111.337 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.68 HD13 ' O ' ' A' ' 16' ' ' ALA . 5.9 mm -133.62 138.58 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.1 mmpt? -126.96 173.17 9.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.55 148.42 39.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.963 HD21 ' CG2' ' A' ' 25' ' ' THR . 0.1 OUTLIER -169.65 -170.0 0.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.231 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.608 ' H ' HD23 ' A' ' 20' ' ' LEU . 26.0 t -124.08 -36.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.451 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.513 ' O ' HD22 ' A' ' 20' ' ' LEU . 25.6 t0 -134.61 163.8 28.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.617 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -77.71 -32.45 52.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.267 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.01 49.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.32 0.581 . . . . 0.0 109.698 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.963 ' CG2' HD21 ' A' ' 20' ' ' LEU . 5.0 m -69.87 -43.19 72.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.776 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.643 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.35 -51.85 56.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.7 tt0 -51.62 -34.63 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.489 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -71.32 -46.87 59.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -75.99 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.23 -41.66 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.68 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.3 ttmt -69.61 -34.44 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -26.17 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CG ' ' HG3' ' A' ' 37' ' ' LYS . 5.7 t80 -79.35 -55.99 4.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.065 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -56.42 -27.02 55.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.61 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -85.9 -45.02 11.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 0.0 111.344 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.32 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.602 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -79.56 -72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.3 -179.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.628 ' O ' HG13 ' A' ' 39' ' ' VAL . 26.1 p -105.29 -84.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.047 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.688 HG22 HD21 ' A' ' 9' ' ' LEU . 2.9 m -161.83 175.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.401 . . . . 0.0 111.176 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -115.32 105.88 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.42 -134.36 4.55 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.358 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.827 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.0 m -61.36 158.76 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.628 0 CA-C-N 116.895 0.348 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -135.07 151.16 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.158 0.504 . . . . 0.0 111.629 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.42 144.54 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.212 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -124.98 149.29 47.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.335 . . . . 0.0 111.536 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -118.79 127.76 53.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.64 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -95.24 26.65 3.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.161 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -94.11 -31.22 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.86 32.84 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 12.8 mtmt 59.7 81.86 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.706 HG23 ' HB3' ' A' ' 4' ' ' LYS . 23.4 m -135.0 141.95 46.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -112.88 152.17 29.59 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.651 HG23 HG13 ' A' ' 6' ' ' ILE . 2.1 m -143.05 119.51 10.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.906 0.384 . . . . 0.0 111.054 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -138.35 136.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.658 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.09 167.49 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.112 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.737 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 2' ' ' THR . 14.8 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.735 0.302 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.812 ' HB2' HD12 ' A' ' 20' ' ' LEU . 1.9 m-85 -100.89 142.2 32.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.709 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.772 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -118.17 132.66 56.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.091 0.472 . . . . 0.0 111.617 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 27.0 tp -133.98 133.19 41.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.88 HG22 ' CB ' ' A' ' 15' ' ' GLU . 15.7 pt -129.49 122.89 56.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.976 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.3 mp -108.92 122.44 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.98 105.2 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' CD2' HG12 ' A' ' 39' ' ' VAL . 42.2 mt -92.98 169.74 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.665 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 54.45 3.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.029 0.443 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -176.36 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.98 157.54 40.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -103.85 118.14 35.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -115.71 117.97 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.88 ' CB ' HG22 ' A' ' 6' ' ' ILE . 4.6 pt-20 -130.22 149.86 51.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 168.06 28.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.54 HD12 ' CG ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -129.26 137.05 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 4.8 mmpt? -122.88 173.13 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.79 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 19.3 mt-10 -120.53 115.17 22.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.1 mt -137.84 -168.86 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 22' ' ' ASP . 16.9 m -118.79 -47.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.58 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 21' ' ' VAL . 30.7 t70 -123.75 164.33 19.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -73.67 -41.0 63.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.04 -49.7 40.01 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.182 0.515 . . . . 0.0 109.81 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.481 HG22 HD22 ' A' ' 20' ' ' LEU . 1.6 m -70.23 -42.22 72.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.565 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -51.62 -52.68 45.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.19 -35.71 37.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.425 178.322 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -50.95 66.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.706 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.7 -63.62 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.05 -50.89 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.89 -179.613 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 2.4 tttt -60.69 -42.09 96.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.705 0.288 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.68 69.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.2 -57.9 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.976 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -56.91 -31.5 64.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.323 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -73.17 -36.02 66.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.98 -54.88 3.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.494 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -56.51 -73.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.783 ' OG1' HD22 ' A' ' 7' ' ' LEU . 63.2 p -107.77 -158.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.631 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 9' ' ' LEU . 12.3 p -96.53 158.9 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.046 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -97.87 117.07 31.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.052 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.41 -142.02 5.05 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.64 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 54' ' ' VAL . 10.1 p -61.24 137.13 23.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 120.922 0.391 . . . . 0.0 110.963 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -109.74 133.34 53.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.393 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.93 108.33 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.234 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -89.84 148.46 23.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 111.401 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -119.47 122.12 40.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.76 36.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -98.66 -28.34 13.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.755 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -174.15 37.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.4 76.7 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.75 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.772 HG23 ' HB3' ' A' ' 4' ' ' LYS . 53.5 m -140.21 124.64 17.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.352 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 27' ' ' GLU . 40.1 m-85 -94.04 150.21 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.474 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -143.83 94.64 2.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 42' ' ' VAL . 8.0 p -116.41 137.57 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.721 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.524 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -141.14 169.48 17.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.9 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.784 HG22 HD11 ' A' ' 17' ' ' ILE . 27.5 m . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.983 0.421 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.59 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.2 m-85 -101.57 134.59 44.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.73 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.658 ' HB3' HG23 ' A' ' 51' ' ' THR . 8.6 tttp -111.74 141.42 45.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 111.507 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 6' ' ' ILE . 24.7 tp -137.75 142.9 40.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.4 tt -130.08 127.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.02 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.2 mp -124.34 125.76 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.839 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -108.98 95.93 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.604 HD11 ' HB ' ' A' ' 38' ' ' THR . 18.1 mt -82.35 172.4 13.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.712 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -33.8 76.47 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.248 0.547 . . . . 0.0 111.031 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -69.44 -52.1 30.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.7 173.8 8.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -89.36 123.35 33.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.33 133.71 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -127.97 154.7 45.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.89 166.1 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.276 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.784 HD11 HG22 ' A' ' 2' ' ' THR . 0.9 OUTLIER -135.89 125.89 41.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.87 136.65 50.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.714 -179.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.814 ' C ' HD22 ' A' ' 20' ' ' LEU . 1.5 mt-10 -89.93 134.79 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.003 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.814 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.6 mm? -138.91 -178.51 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.2 m -90.98 -45.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.304 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -140.87 -171.68 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.504 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.4 -45.96 11.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.271 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.59 -49.76 18.42 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.345 0.593 . . . . 0.0 110.007 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -70.55 -40.21 73.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.513 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.82 -54.06 33.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.8 mt-10 -51.62 -33.89 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.477 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.54 -46.8 58.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -74.61 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.891 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.87 -38.62 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.633 -179.269 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -70.1 -37.6 75.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 0.0 110.371 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.86 66.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.657 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 9.5 t80 -80.27 -57.33 3.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.02 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.64 -29.0 67.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.451 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -81.7 -29.16 33.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.54 -56.86 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.382 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -57.96 -60.96 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.594 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.829 ' OG1' HD22 ' A' ' 7' ' ' LEU . 10.5 p -113.38 -156.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.519 ' H ' HD21 ' A' ' 9' ' ' LEU . 12.4 t -100.44 160.73 3.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' HG12 ' A' ' 39' ' ' VAL . 11.3 tt0 -97.98 118.34 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.263 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.77 -138.27 4.16 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.816 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 54' ' ' VAL . 19.1 m -61.46 155.44 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -129.4 152.16 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.99 0.424 . . . . 0.0 111.678 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.46 162.53 39.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.087 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -138.28 148.91 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.087 0.47 . . . . 0.0 111.449 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -123.44 126.18 46.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.496 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.46 25.1 3.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.339 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 49' ' ' THR . 7.4 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -173.53 36.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 O-C-N 123.467 0.479 . . . . 0.0 110.726 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.45 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.663 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.658 HG23 ' HB3' ' A' ' 4' ' ' LYS . 62.4 m -142.24 127.18 18.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 111.451 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -96.23 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 6' ' ' ILE . 6.9 m -140.39 116.97 10.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -138.47 140.89 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.629 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.524 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -141.4 149.76 41.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.246 . . . . 0.0 111.174 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--O 1.254 1.312 0 CA-C-O 117.902 -1.046 . . . . 0.0 110.714 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.1 t . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.854 0.359 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.682 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.0 m-85 -100.88 142.11 32.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.805 ' HB2' HG23 ' A' ' 51' ' ' THR . 43.7 mttt -119.97 132.71 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.282 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 52' ' ' PHE . 42.6 tp -131.46 134.82 46.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.897 HG23 HG23 ' A' ' 53' ' ' THR . 1.9 tt -129.82 134.2 63.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.831 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.873 HD21 ' CB ' ' A' ' 34' ' ' ALA . 5.0 mp -125.66 134.15 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -124.75 111.97 16.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.799 HD11 HG23 ' A' ' 38' ' ' THR . 95.9 mt -104.71 174.6 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 2.86 39.29 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -167.6 32.63 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.011 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.64 ' HB3' HD12 ' A' ' 9' ' ' LEU . . . -176.88 99.13 0.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.922 0.392 . . . . 0.0 111.404 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 123.33 39.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.879 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -137.59 132.15 32.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.947 0.403 . . . . 0.0 111.11 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.14 132.71 25.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.496 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.765 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.82 174.17 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.765 HD13 ' O ' ' A' ' 16' ' ' ALA . 13.2 mm -133.65 145.66 33.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -127.32 173.11 10.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 5.4 mt-10 -120.66 116.31 25.05 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.793 HD22 HG22 ' A' ' 25' ' ' THR . 2.0 mt -138.17 -170.83 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.729 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.9 m -112.85 -47.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.632 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.8 p30 -126.9 175.27 8.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.926 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.675 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -81.44 -35.61 30.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.92 -50.24 47.08 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.263 0.554 . . . . 0.0 109.89 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.793 HG22 HD22 ' A' ' 20' ' ' LEU . 1.5 m -71.9 -42.13 67.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.758 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.697 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.67 -53.95 33.35 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.1 mt-10 -50.85 -35.37 32.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.35 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -48.68 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.998 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -75.37 -63.15 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.534 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -46.27 -39.9 10.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.133 -179.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 13.3 tttt -72.17 -44.24 63.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.821 0.343 . . . . 0.0 110.849 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -28.41 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.583 ' HE1' HD13 ' A' ' 7' ' ' LEU . 20.0 t80 -77.07 -55.35 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.873 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -65.22 -22.1 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.63 -38.12 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 -63.87 1.17 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.538 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.33 -33.03 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.799 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -128.86 -155.29 0.69 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.914 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.421 HG22 HD21 ' A' ' 9' ' ' LEU . 26.8 m -122.23 176.94 4.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.87 109.83 22.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.51 -147.44 6.98 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.422 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.44 106.05 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.385 0.612 . . . . 0.0 110.906 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -78.72 151.77 31.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.591 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.48 145.07 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.46 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 40.7 t80 -131.72 155.71 47.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.415 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -126.4 122.79 36.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.499 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -95.03 35.22 1.29 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 49' ' ' THR . 84.4 mt-10 -108.93 -32.03 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.315 0.578 . . . . 0.0 110.933 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 48' ' ' GLU . 23.1 p -159.88 29.18 0.18 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.657 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.4 75.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.717 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.805 HG23 ' HB2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -126.95 141.4 51.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 111.418 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.51 ' HB3' HD13 ' A' ' 5' ' ' LEU . 12.0 m-85 -119.97 145.09 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.486 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.897 HG23 HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -143.73 121.38 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 9.9 p -138.4 126.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.061 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.1 156.96 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.834 179.745 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 2' ' ' THR . 12.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.82 0.343 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.602 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.8 m-85 -106.85 129.0 54.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.697 ' HB3' HG23 ' A' ' 51' ' ' THR . 4.0 tttt -108.26 143.02 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.485 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 52.4 tp -135.98 142.83 44.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.89 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.472 HG23 HG23 ' A' ' 53' ' ' THR . 3.4 tt -134.55 132.09 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.956 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.7 mp -122.4 133.85 54.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.223 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -126.24 84.5 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.59 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.928 HD22 ' CG2' ' A' ' 38' ' ' THR . 2.0 pt? -96.98 164.5 12.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -29.05 19.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.828 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.407 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 19.1 mm-40 -64.53 -48.75 73.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.665 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 179.2 -172.71 0.16 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -110.97 110.75 21.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.787 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -125.89 146.24 49.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -147.73 161.53 41.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.58 176.24 12.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 4' ' ' LYS . 5.5 tp -134.13 133.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mmpt? -125.56 173.03 9.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -125.18 132.31 53.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.694 HD13 ' HA ' ' A' ' 26' ' ' ALA . 1.9 mt -156.46 -167.82 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.58 -61.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.44 177.37 4.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.403 . . . . 0.0 110.977 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.79 -33.3 27.32 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.649 ' CG2' HD22 ' A' ' 20' ' ' LEU . 2.8 m -71.42 -43.82 66.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.733 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.694 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.01 -52.83 39.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 4.4 tm-20 -51.78 -34.87 41.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.276 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -48.89 65.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.058 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.99 -60.86 2.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.829 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.19 -45.67 44.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.777 -179.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.0 tmtm? -66.1 -32.23 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -30.9 70.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.66 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -74.89 -54.45 7.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.515 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.956 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.29 -26.94 65.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.369 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -79.31 -28.94 42.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.09 -62.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -62.76 -58.58 6.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.928 ' CG2' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -102.36 -155.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.2 t -115.91 168.8 7.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.817 0.341 . . . . 0.0 110.699 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' H ' HG12 ' A' ' 39' ' ' VAL . 61.2 tt0 -96.68 106.53 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.54 -127.27 2.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.422 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.0 t -61.81 160.1 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' N ' HG12 ' A' ' 42' ' ' VAL . 51.6 m95 -146.14 129.13 16.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.98 0.419 . . . . 0.0 111.249 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.11 116.66 6.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.609 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -91.19 151.56 20.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.31 85.15 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.676 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -20.33 48.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -52.04 -32.68 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -154.54 25.16 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.874 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.73 75.45 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.19 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 4' ' ' LYS . 91.2 m -141.84 123.54 15.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HB2' HD13 ' A' ' 5' ' ' LEU . 50.6 m-85 -90.52 148.92 22.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.472 HG23 HG23 ' A' ' 6' ' ' ILE . 13.1 m -136.71 122.32 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.4 p -138.54 146.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.14 134.69 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.744 0.307 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.765 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.995 0.426 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.76 ' HB2' HD23 ' A' ' 20' ' ' LEU . 5.0 m-85 -104.24 132.36 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.773 ' HD3' HD13 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -110.98 135.65 51.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 111.488 -179.335 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.48 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 41.8 tp -126.98 142.95 51.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.989 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 5' ' ' LEU . 4.9 tt -134.44 129.22 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.975 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.4 mp -123.39 128.9 50.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -104.0 92.09 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.674 HD21 HG22 ' A' ' 39' ' ' VAL . 6.7 mt -82.06 159.95 23.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.62 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -64.64 -31.75 73.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.093 0.473 . . . . 0.0 111.511 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -79.02 -48.96 13.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.829 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.74 175.11 14.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 118.57 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -115.1 128.91 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.53 140.03 25.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.26 175.1 10.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.773 HD13 ' HD3' ' A' ' 4' ' ' LYS . 6.7 tp -121.5 147.03 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 1.1 mmtp -133.38 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.074 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.806 ' C ' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -123.02 110.74 15.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.165 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 19' ' ' GLU . 2.1 mm? -131.71 -174.8 3.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.6 m -109.69 -46.6 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.44 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 9.5 p-10 -127.64 168.16 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.627 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -75.84 -39.64 56.28 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.178 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.573 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -49.3 -48.75 45.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 109.888 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -71.33 -41.78 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.634 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.54 -54.15 30.38 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 12.8 tt0 -51.19 -34.64 32.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.549 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -49.7 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.238 0.542 . . . . 0.0 110.142 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -71.99 -60.54 2.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.595 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.44 -48.97 47.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.748 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 8.5 ttpt -61.89 -34.76 76.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.664 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -28.28 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 6.9 t80 -79.2 -55.67 4.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.975 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -58.83 -23.43 60.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.49 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -84.26 -36.54 22.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.59 -59.29 2.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.296 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 2.4 mptp? -55.97 -43.44 77.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.734 ' OG1' HD22 ' A' ' 7' ' ' LEU . 13.3 p -143.06 -155.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.671 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.674 HG22 HD21 ' A' ' 9' ' ' LEU . 13.4 m -102.64 174.04 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.36 123.34 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.51 -120.12 2.26 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.453 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.2 t -69.23 112.68 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.306 0.574 . . . . 0.0 111.11 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -89.8 150.78 22.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.359 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.75 109.33 2.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.13 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -89.75 146.31 24.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.2 119.94 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.43 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.53 35.27 1.12 Allowed 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.249 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 49' ' ' THR . 31.3 tt0 -100.89 -31.58 11.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.476 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -162.91 30.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.356 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.63 80.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.49 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.4 m -142.66 134.81 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 111.394 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -104.77 131.95 51.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' THR . 63.8 m -118.84 118.13 30.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 11.1 p -138.33 142.42 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -141.48 172.65 12.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' HG23 ' A' ' 39' ' ' VAL . 3.7 tm-20 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 11.8 t . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.71 0.29 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.789 ' HB2' HD12 ' A' ' 20' ' ' LEU . 3.4 m-85 -106.3 135.67 47.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.732 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.834 ' CG ' HD12 ' A' ' 17' ' ' ILE . 6.9 mtmm -111.74 139.62 47.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.601 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 55.4 tp -137.88 136.04 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.563 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.856 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.1 pp -134.53 121.65 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.018 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.9 mp -104.85 130.97 52.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.78 100.63 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.602 HD21 HG12 ' A' ' 39' ' ' VAL . 11.0 mt -93.68 167.93 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -82.47 -21.53 35.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 111.585 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -96.67 -37.19 10.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.385 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.03 -178.91 6.64 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.21 111.57 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.736 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.81 126.03 52.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.856 ' HB3' HG22 ' A' ' 6' ' ' ILE . 19.8 mp0 -142.99 137.88 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.783 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.782 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -155.08 177.77 10.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.998 0.427 . . . . 0.0 111.469 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.834 HD12 ' CG ' ' A' ' 4' ' ' LYS . 30.7 mm -132.79 139.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.96 172.93 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.754 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.1 OUTLIER -120.3 124.85 46.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.789 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.7 mt -141.21 -172.87 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.66 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.4 -34.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 111.661 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.34 179.87 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.911 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.691 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -83.32 -43.97 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.345 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.5 -49.56 25.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.335 0.588 . . . . 0.0 110.012 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.594 HG22 HD22 ' A' ' 20' ' ' LEU . 1.3 m -71.67 -40.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.429 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.16 -53.53 41.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.3 tt0 -51.15 -35.42 35.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.319 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -50.65 63.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.994 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -71.62 -62.04 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.714 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.04 -48.67 32.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.99 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -61.46 -40.46 94.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -27.22 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.414 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 7.7 t80 -78.06 -56.89 4.12 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.018 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -55.78 -31.96 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -79.68 -29.29 40.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.592 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.6 -53.58 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.571 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 4.9 mptt -57.2 -64.94 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.616 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.759 ' OG1' HD22 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -108.83 -86.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.591 0.234 . . . . 0.0 111.628 -179.303 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.602 HG12 HD21 ' A' ' 9' ' ' LEU . 12.7 p -176.01 162.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.045 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -96.71 144.12 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.144 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.52 -129.75 1.08 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.134 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 54' ' ' VAL . 22.9 t -61.46 142.37 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -127.05 145.01 50.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.198 0.523 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.44 132.58 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.036 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -110.95 147.48 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.458 . . . . 0.0 111.509 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -116.27 124.95 51.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.465 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.91 23.72 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.362 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.71 -35.62 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -164.72 32.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 61.16 82.24 0.17 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 4' ' ' LYS . 89.6 m -143.26 130.12 20.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.481 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HB2' HD13 ' A' ' 5' ' ' LEU . 40.3 m-85 -100.19 150.79 22.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.438 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 44' ' ' THR . 1.6 t -143.96 106.18 4.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.922 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 42' ' ' VAL . 7.6 p -118.64 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.5 166.56 22.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.029 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.763 HG22 HD11 ' A' ' 17' ' ' ILE . 31.3 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.928 0.394 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.615 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.2 m-85 -101.0 133.88 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.736 ' HB3' HG23 ' A' ' 51' ' ' THR . 5.2 tttt -114.76 135.53 54.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.983 0.42 . . . . 0.0 111.574 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 20.0 tp -137.95 133.85 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.994 HD11 HG23 ' A' ' 53' ' ' THR . 2.2 pp -134.77 131.04 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.0 HD21 ' HB1' ' A' ' 34' ' ' ALA . 3.8 mp -118.17 134.03 55.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -120.39 130.34 54.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.583 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD11 ' HB ' ' A' ' 38' ' ' THR . 51.9 mt -120.6 -179.0 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.689 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -97.89 24.74 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -152.45 -45.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.6 145.77 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -117.31 124.38 48.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.181 0.515 . . . . 0.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -126.43 136.79 53.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.814 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.88 ' HB3' HG22 ' A' ' 6' ' ' ILE . 20.8 mt-10 -145.36 142.23 29.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.85 178.94 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.763 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -138.21 133.79 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.72 137.53 45.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -92.58 138.76 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.002 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.727 HD22 HG22 ' A' ' 25' ' ' THR . 1.5 mt -142.81 -176.41 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.4 m -95.09 -45.76 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.459 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -137.58 -177.86 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -83.26 -41.45 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.185 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.4 26.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.919 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.727 HG22 HD22 ' A' ' 20' ' ' LEU . 1.6 m -69.94 -41.36 74.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.72 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.1 -54.64 27.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -49.86 -35.09 22.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.583 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -51.02 40.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -71.1 -59.26 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.116 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.35 -52.61 44.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.936 -179.052 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.13 -32.25 70.83 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.13 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.787 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.452 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 3.1 t80 -72.21 -49.63 33.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.405 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.0 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -63.8 -25.64 68.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.567 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.75 -27.81 24.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.23 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.75 -40.86 11.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.38 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 4.7 mmpt? -73.52 -67.93 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.887 ' OG1' HD22 ' A' ' 7' ' ' LEU . 61.6 p -109.11 -158.85 0.66 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.658 HG23 ' CB ' ' A' ' 56' ' ' GLU . 4.4 m -98.22 172.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.775 0.321 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -100.83 123.28 44.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -138.52 -134.65 3.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.813 ' O ' HG23 ' A' ' 54' ' ' VAL . 27.3 m -61.76 157.44 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.536 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -136.36 109.49 7.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 109.56 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.354 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -89.95 156.73 18.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.431 . . . . 0.0 111.313 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.57 114.38 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.85 28.38 2.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -103.76 -28.57 11.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.162 0.506 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -158.21 27.75 0.25 Allowed 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.802 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.81 77.76 0.2 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 4' ' ' LYS . 75.2 m -142.12 127.06 18.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 111.298 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' HB2' HD13 ' A' ' 5' ' ' LEU . 44.5 m-85 -96.56 146.12 25.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.36 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.994 HG23 HD11 ' A' ' 6' ' ' ILE . 65.6 m -140.19 107.85 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.338 . . . . 0.0 111.393 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.1 p -122.59 140.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.436 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 2.2 m -134.95 152.3 51.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.688 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.658 ' CB ' HG23 ' A' ' 39' ' ' VAL . 4.3 tm-20 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.695 HG22 HD11 ' A' ' 17' ' ' ILE . 32.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.612 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.5 m-85 -101.25 130.32 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HB3' HG23 ' A' ' 51' ' ' THR . 1.6 ttmt -112.56 138.84 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.231 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 41.6 tp -136.4 132.35 35.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.633 HG22 ' HB2' ' A' ' 15' ' ' GLU . 1.2 pt -130.23 122.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 34' ' ' ALA . 4.1 mp -107.23 133.65 51.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.93 70.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.649 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.871 HD12 ' HG2' ' A' ' 11' ' ' GLN . 1.9 pt? -78.24 170.03 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -50.75 11.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.871 ' HG2' HD12 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -59.07 -17.89 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -178.8 -168.0 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.191 0.52 . . . . 0.0 111.829 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -133.33 106.92 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -107.71 133.51 52.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.91 0.386 . . . . 0.0 111.395 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.633 ' HB2' HG22 ' A' ' 6' ' ' ILE . 2.9 pp20? -147.88 140.69 24.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.7 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.91 -178.3 7.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.956 0.408 . . . . 0.0 111.611 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.695 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -140.97 132.42 28.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.891 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -135.2 136.72 42.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 17.1 mt-10 -89.79 152.1 21.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.671 HD13 ' HA ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -163.35 -166.62 1.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.49 -48.21 10.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -135.31 -177.24 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.44 -36.51 20.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.0 -50.97 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.211 0.529 . . . . 0.0 109.613 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.585 ' CG2' HD22 ' A' ' 20' ' ' LEU . 2.6 m -70.79 -43.03 69.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.635 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.671 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.2 -53.22 37.02 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.4 tt0 -51.12 -34.94 32.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.452 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -68.13 -46.75 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.152 0.501 . . . . 0.0 110.181 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -76.75 -61.15 2.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.756 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.0 -37.41 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.852 -179.264 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 17.3 tttm -74.64 -34.32 62.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 110.405 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.46 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' HE1' HD13 ' A' ' 7' ' ' LEU . 6.5 t80 -79.76 -55.0 5.31 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.859 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.32 -35.82 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.6 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -76.73 -38.34 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.195 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.58 5.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.486 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -70.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.308 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.854 ' CG2' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -88.48 -156.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 40' ' ' GLU . 12.0 t -109.97 162.7 7.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 120.699 0.285 . . . . 0.0 110.812 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -97.0 106.07 18.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.996 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.74 -134.9 4.09 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.395 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.837 ' O ' HG23 ' A' ' 54' ' ' VAL . 18.0 t -61.7 155.52 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.402 ' N ' HG12 ' A' ' 42' ' ' VAL . 37.3 m95 -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.935 0.398 . . . . 0.0 111.573 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.844 ' OG1' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.48 155.26 31.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.254 179.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 63.5 t80 -130.7 155.21 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 111.292 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 1.6 mmmm -121.26 122.98 41.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.26 22.45 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -33.24 14.36 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.37 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -164.16 31.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 1.9 mttp 59.69 85.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.745 HG23 ' HB3' ' A' ' 4' ' ' LYS . 30.6 m -141.31 128.14 20.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 36.0 m-85 -100.39 150.31 22.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.445 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.844 HG23 ' OG1' ' A' ' 44' ' ' THR . 0.6 OUTLIER -143.92 120.47 11.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 111.192 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -133.41 122.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 t -119.76 168.57 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.768 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.563 HG22 HD11 ' A' ' 17' ' ' ILE . 32.5 m . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.888 0.375 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.74 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.2 m-85 -100.8 140.8 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.645 ' HB3' HG23 ' A' ' 51' ' ' THR . 2.3 tttt -117.81 132.3 56.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.355 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 42.5 tp -126.4 135.67 51.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.67 133.85 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.846 HD23 HG13 ' A' ' 54' ' ' VAL . 1.2 mp -128.77 133.83 48.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -114.33 119.15 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.52 HD13 HE21 ' A' ' 11' ' ' GLN . 5.7 mt -101.69 -178.89 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -91.44 49.48 1.6 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.52 HE21 HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -178.14 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.38 146.39 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.76 123.77 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.629 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.08 138.7 54.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.26 142.59 30.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.669 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.18 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.609 HD12 ' CB ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -126.76 134.48 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 6.9 mmpt? -126.27 173.21 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.08 123.63 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.858 HD22 HG23 ' A' ' 25' ' ' THR . 2.3 mt -142.5 -173.45 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.937 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 22' ' ' ASP . 35.5 m -103.98 -47.55 10.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 120.804 0.335 . . . . 0.0 111.537 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.505 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -137.09 -173.86 3.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.295 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.619 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -81.49 -31.86 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.708 0.29 . . . . 0.0 110.71 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.85 73.57 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.292 0.568 . . . . 0.0 109.603 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.858 HG23 HD22 ' A' ' 20' ' ' LEU . 2.8 t -70.53 -43.28 69.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.792 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.688 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.78 -56.61 14.41 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 17.5 tt0 -46.53 -36.48 6.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.704 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -51.96 38.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.032 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 t80 -70.95 -59.64 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.127 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -50.92 -50.03 58.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.032 -179.097 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 10.3 tttt -62.48 -30.57 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.579 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -29.04 64.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 8.1 t80 -74.99 -56.66 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.746 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.97 -21.84 46.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.477 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -83.73 -36.3 23.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 111.279 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 -22.82 19.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.731 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -99.94 -69.44 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.337 -179.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.426 HG22 ' HG ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -99.37 -155.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.899 -179.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.517 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.3 t -115.61 167.78 7.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.662 0.268 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' H ' HG12 ' A' ' 39' ' ' VAL . 9.0 pt-20 -96.8 111.6 23.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.86 -139.15 5.44 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.033 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 55' ' ' THR . 5.1 m -74.82 100.41 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 CA-C-O 121.357 0.598 . . . . 0.0 110.98 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.402 ' CD1' HG21 ' A' ' 54' ' ' VAL . 23.8 m95 -74.43 149.13 40.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.682 -179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.447 ' HB ' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.6 168.39 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.033 179.265 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -139.94 145.71 38.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.533 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -116.28 129.59 56.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.13 18.53 9.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.539 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 49' ' ' THR . 4.7 mm-40 -79.66 -31.97 41.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 110.983 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -172.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.48 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.51 79.66 0.22 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.4 m -135.64 124.45 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.529 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' HD12 ' A' ' 5' ' ' LEU . 37.6 m-85 -90.65 123.54 34.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' HB ' ' A' ' 44' ' ' THR . 9.8 t -121.73 118.7 29.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 110.79 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.846 HG13 HD23 ' A' ' 7' ' ' LEU . 10.1 p -138.37 140.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.73 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.552 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -140.73 153.71 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.949 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.3 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.928 0.394 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.638 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.1 m-85 -100.72 137.41 39.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.87 ' CG ' HD12 ' A' ' 17' ' ' ILE . 23.4 mtmt -114.29 131.43 56.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 0.0 111.404 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 27.4 tp -128.4 138.22 52.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.717 HG22 ' CB ' ' A' ' 15' ' ' GLU . 5.6 pt -134.69 118.09 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.857 HD21 ' CB ' ' A' ' 34' ' ' ALA . 2.2 mp -108.82 133.95 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -122.39 100.78 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.876 HD21 ' CG2' ' A' ' 39' ' ' VAL . 11.4 mt -93.78 178.01 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.794 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -79.7 -27.32 40.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -86.24 -49.1 7.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 149.57 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.12 50.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.503 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.28 144.95 46.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.717 ' CB ' HG22 ' A' ' 6' ' ' ILE . 8.0 pm0 -139.15 141.98 38.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.746 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.511 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.83 165.65 35.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.467 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.87 HD12 ' CG ' ' A' ' 4' ' ' LYS . 30.4 mm -123.64 139.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -133.21 169.81 16.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 3.1 pt-20 -102.82 137.6 40.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.416 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.937 HD11 HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -147.85 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.2 t -109.82 -33.76 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.89 178.08 8.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.638 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -84.04 -47.19 11.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.181 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.25 -49.59 17.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.937 HG22 HD11 ' A' ' 20' ' ' LEU . 5.8 m -70.41 -41.29 73.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.508 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -50.25 -54.98 17.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.16 -34.55 31.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.531 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -49.92 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.051 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.32 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.8 -53.29 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.616 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -31.73 70.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.515 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -31.0 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.422 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 5.6 t80 -75.81 -51.29 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.471 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.857 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -63.14 -25.16 68.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.512 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -79.11 -42.67 25.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.078 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.34 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 3.8 mptt -61.49 -69.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.581 ' OG1' HD22 ' A' ' 7' ' ' LEU . 16.8 p -108.67 -155.07 0.55 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.876 ' CG2' HD21 ' A' ' 9' ' ' LEU . 15.6 m -108.16 174.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-O 120.891 0.377 . . . . 0.0 111.076 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.99 128.6 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.17 -143.07 4.08 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.373 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.69 ' CG2' HG23 ' A' ' 55' ' ' THR . 30.7 m -61.64 132.49 27.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.085 0.469 . . . . 0.0 110.4 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CD2' ' HB ' ' A' ' 54' ' ' VAL . 54.9 m95 -109.59 148.37 31.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.457 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' THR . 53.4 p -154.65 111.26 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.077 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 65.0 t80 -89.73 154.61 19.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.428 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -124.06 128.69 49.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.677 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.03 27.91 3.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 49' ' ' THR . 4.9 tt0 -86.02 -35.06 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.336 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -172.24 39.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.0 mttt 61.57 79.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.659 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 4' ' ' LYS . 40.1 m -138.47 126.32 22.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.48 . . . . 0.0 111.376 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 15.5 m-85 -97.38 146.91 24.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.154 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' THR . 78.9 m -143.73 109.89 5.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 111.044 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 42' ' ' VAL . 10.1 p -128.22 140.95 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.69 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -140.94 170.24 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.972 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.619 HG22 HD11 ' A' ' 17' ' ' ILE . 54.5 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.775 0.321 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.644 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.2 m-85 -102.1 135.41 43.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.679 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.4 OUTLIER -113.29 135.86 53.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.43 -179.651 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 49.6 tp -133.59 137.24 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.804 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.919 HG22 ' HB2' ' A' ' 15' ' ' GLU . 12.2 pt -134.62 120.3 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.02 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.5 mp -110.13 129.08 55.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.61 97.02 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.726 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.4 pt? -100.75 -179.1 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -75.76 -57.17 4.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.692 ' HG2' HD12 ' A' ' 9' ' ' LEU . 5.9 pt20 -60.7 -18.0 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -179.17 -170.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 112.227 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -133.38 110.64 10.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -107.54 129.57 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.935 0.397 . . . . 0.0 111.331 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.919 ' HB2' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -147.77 140.79 24.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.521 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.9 175.81 13.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 111.41 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.619 HD11 HG22 ' A' ' 2' ' ' THR . 0.9 OUTLIER -128.63 134.64 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.922 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -128.68 173.2 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.918 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.764 ' C ' HD22 ' A' ' 20' ' ' LEU . 3.4 mt-10 -118.57 137.75 53.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' C ' ' A' ' 19' ' ' GLU . 2.6 mm? -146.92 -177.03 5.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.7 t -100.88 -30.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.001 0.429 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.25 177.48 11.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.135 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.644 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -71.87 -31.5 66.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.692 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -52.0 60.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.068 0.461 . . . . 0.0 109.783 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.457 HG23 HD12 ' A' ' 20' ' ' LEU . 1.6 t -71.19 -38.25 72.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.088 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -54.94 -56.61 17.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.0 mt-10 -48.12 -35.19 11.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.874 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -72.48 -46.82 53.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.306 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -75.27 -57.25 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -54.65 -40.59 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.059 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 14.5 tttt -69.49 -43.88 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.714 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -32.84 73.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.026 0.441 . . . . 0.0 110.339 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 5.4 t80 -69.04 -53.61 19.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.259 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.02 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -63.17 -27.06 69.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.61 -36.05 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.68 -28.04 16.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.599 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' CE ' ' CE2' ' A' ' 33' ' ' TYR . 2.1 mptp? -67.18 -79.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.505 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.586 ' CG2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.32 -94.92 0.42 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.39 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 40' ' ' GLU . 4.4 t -152.09 164.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.787 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.476 ' N ' HG12 ' A' ' 39' ' ' VAL . 5.8 mm-40 -96.8 105.88 18.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.37 -134.62 4.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.187 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.814 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.1 m -61.52 153.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.237 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -132.42 133.24 43.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.99 114.54 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.404 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -93.96 151.38 19.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.493 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.36 86.42 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.576 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -20.31 40.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -32.61 9.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.585 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.77 29.18 0.12 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 4.3 mttp 55.73 81.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.055 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 4' ' ' LYS . 90.0 m -144.71 121.82 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.255 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -92.61 148.58 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.449 HG23 HG13 ' A' ' 6' ' ' ILE . 42.1 m -142.26 107.16 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 111.129 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.6 p -123.95 138.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.568 HG23 ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -140.98 172.26 12.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.221 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.92 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.73 HG22 HD11 ' A' ' 17' ' ' ILE . 24.6 m . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.725 0.298 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.649 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.6 m-85 -103.6 132.07 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.692 ' HG3' HD12 ' A' ' 17' ' ' ILE . 11.0 ttmt -112.88 140.07 47.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 111.661 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 43.1 tp -138.01 135.96 36.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.829 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.694 HG13 HG23 ' A' ' 53' ' ' THR . 14.4 pt -129.4 122.94 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.026 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.6 mp -113.41 133.98 54.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.961 0.41 . . . . 0.0 111.301 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.82 68.07 0.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.686 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -76.32 152.92 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 -179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -42.04 39.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.574 ' HB3' HD12 ' A' ' 9' ' ' LEU . 4.9 tt0 -58.11 -36.71 73.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.91 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' GLN . . . 177.69 173.33 0.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -107.6 118.43 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -121.33 145.66 47.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.68 ' CB ' HG22 ' A' ' 6' ' ' ILE . 6.7 pt-20 -147.71 144.08 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.78 175.1 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.359 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.73 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -133.83 126.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.901 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.71 136.44 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.668 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 152.32 21.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -151.68 -172.95 4.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.784 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.57 -33.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -153.21 178.18 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.649 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -79.09 -48.69 13.89 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.74 -50.82 13.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.225 0.536 . . . . 0.0 109.814 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -68.69 -40.89 79.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.461 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HA ' HD22 ' A' ' 20' ' ' LEU . . . -52.08 -50.81 60.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -53.67 -34.35 58.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.542 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -67.28 -47.91 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 109.974 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -75.05 -62.97 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.134 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.633 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -47.52 -44.75 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.889 -179.248 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -66.37 -43.61 85.44 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.751 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -23.62 67.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.448 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.5 t80 -76.36 -53.77 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.026 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -64.39 -29.28 70.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -78.11 -47.47 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.302 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 -53.52 7.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.47 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -57.73 -70.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.448 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.758 ' OG1' HD22 ' A' ' 7' ' ' LEU . 13.6 p -104.85 -157.11 0.6 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.829 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 m -96.44 174.36 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -102.4 136.99 41.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.47 -145.39 4.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 54' ' ' VAL . 8.9 p -61.31 159.16 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 120.545 0.212 . . . . 0.0 110.447 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.492 ' N ' HG22 ' A' ' 42' ' ' VAL . 28.6 m95 -132.68 137.0 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.002 0.43 . . . . 0.0 111.57 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.83 153.54 41.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.188 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -129.75 148.01 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 111.393 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -117.19 123.71 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.481 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.06 25.96 3.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.453 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.61 -33.76 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.41 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -164.94 32.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.298 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.6 mttp 60.64 84.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.601 HG23 ' HB3' ' A' ' 4' ' ' LYS . 90.2 m -142.54 129.47 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.399 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.469 ' HB2' HD13 ' A' ' 5' ' ' LEU . 60.7 m-85 -96.13 154.37 17.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.694 HG23 HG13 ' A' ' 6' ' ' ILE . 3.1 m -143.7 108.96 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.375 . . . . 0.0 111.625 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.8 p -127.88 133.95 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.239 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.583 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -139.5 155.27 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 0.0 111.319 -179.602 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.915 -179.755 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 2' ' ' THR . 15.2 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.813 0.34 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.608 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.5 m-85 -101.73 136.33 41.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.651 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -113.13 134.26 54.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 111.625 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 47.5 tp -130.03 140.34 50.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.633 HG23 HG23 ' A' ' 53' ' ' THR . 3.9 tt -125.9 133.11 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.868 HD21 ' CB ' ' A' ' 34' ' ' ALA . 2.9 mp -127.19 133.97 50.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.407 ' CB ' ' HB ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -119.07 93.8 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.554 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.783 HD11 ' HB ' ' A' ' 38' ' ' THR . 14.9 mt -90.7 169.44 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -30.07 64.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.072 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -78.4 -56.15 4.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.776 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.02 163.07 40.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -92.21 124.3 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -110.95 133.78 53.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -147.82 132.95 18.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.741 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.92 171.25 20.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 111.383 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.457 HD12 ' CB ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -126.51 133.8 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.856 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -131.3 137.14 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.958 -179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.796 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -84.17 142.87 30.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 19' ' ' GLU . 2.4 mm? -147.51 -177.08 5.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.777 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' H ' HG21 ' A' ' 25' ' ' THR . 20.7 t -92.82 -32.12 4.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.88 -164.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.301 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.608 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -84.22 -41.55 16.83 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.84 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.36 -48.89 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 109.799 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.443 HG21 ' H ' ' A' ' 21' ' ' VAL . 5.2 t -69.72 -41.15 75.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.628 178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.55 -55.81 16.99 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HG2' ' CE2' ' A' ' 52' ' ' PHE . 18.5 mt-10 -49.74 -33.96 17.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.886 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -73.34 -46.06 51.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.177 0.513 . . . . 0.0 110.314 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -76.24 -58.43 3.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.09 -31.16 40.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.755 -179.168 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 44.2 tttt -77.68 -34.54 52.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -22.99 63.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.493 ' HE1' HD13 ' A' ' 7' ' ' LEU . 11.1 t80 -82.83 -53.31 5.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.868 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -65.78 -27.58 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.428 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -80.26 -39.89 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 -62.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.333 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.8 57.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.783 ' HB ' HD11 ' A' ' 9' ' ' LEU . 11.5 p -143.22 -155.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.053 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 40' ' ' GLU . 1.3 t -110.15 173.89 2.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.978 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.589 ' H ' HG12 ' A' ' 39' ' ' VAL . 5.3 tt0 -96.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -167.96 -141.45 3.19 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.776 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 20.4 t -77.07 110.51 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.339 0.59 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -84.82 147.76 26.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.78 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.407 ' HB ' ' HB ' ' A' ' 53' ' ' THR . 48.2 m -156.47 139.58 15.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.223 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 56.3 t80 -119.83 153.73 35.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.074 0.464 . . . . 0.0 111.663 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.3 117.31 22.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 28.54 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.32 -28.73 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.471 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.13 28.16 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 54.18 77.22 0.2 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.967 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.608 HG23 ' HB3' ' A' ' 4' ' ' LYS . 59.5 m -140.12 122.51 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 111.702 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 29.8 m-85 -94.67 154.05 17.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.34 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.633 HG23 HG23 ' A' ' 6' ' ' ILE . 92.3 m -143.87 122.08 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.642 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -138.51 130.85 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.856 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.407 ' HB ' ' CB ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -132.17 132.0 42.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.029 -179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.669 ' HB3' HD23 ' A' ' 9' ' ' LEU . 1.4 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.687 HG22 HD11 ' A' ' 17' ' ' ILE . 89.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.357 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.668 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.0 m-85 -107.0 128.13 54.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.9 OUTLIER -108.81 136.59 48.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.366 -179.675 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 34' ' ' ALA . 63.6 tp -127.41 143.02 51.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.0 tt -130.58 126.33 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.088 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.036 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.2 mp -119.51 124.88 47.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -113.17 105.83 13.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.544 HD13 HE21 ' A' ' 11' ' ' GLN . 13.2 mt -87.7 -179.06 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -97.05 31.5 2.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.544 HE21 HD13 ' A' ' 9' ' ' LEU . 3.9 pt20 -153.59 -46.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.928 0.394 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.25 162.71 34.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -100.3 121.76 42.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -116.12 130.73 56.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -147.74 138.09 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.13 173.14 11.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.687 HD11 HG22 ' A' ' 2' ' ' THR . 0.4 OUTLIER -136.17 122.68 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -130.75 137.5 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.534 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.821 ' C ' HD22 ' A' ' 20' ' ' LEU . 33.2 tt0 -95.27 133.4 39.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.821 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.4 mm? -136.82 -174.66 3.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.609 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 22' ' ' ASP . 14.7 p -99.16 -45.75 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.796 0.332 . . . . 0.0 111.467 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' N ' HG13 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -134.77 170.54 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.668 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -74.44 -43.92 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.186 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.92 25.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.349 0.595 . . . . 0.0 109.898 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -40.88 73.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.587 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -52.55 -52.3 55.57 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 29.7 tt0 -52.84 -33.84 51.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.786 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -73.04 -48.48 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 110.279 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 7.9 t80 -71.58 -58.86 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.913 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.5 -27.87 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.564 -179.078 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.1 tmtt? -76.58 -32.87 58.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 110.131 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -25.8 63.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.766 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 6.1 t80 -80.45 -55.4 4.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.036 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -58.87 -29.44 66.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -82.24 -29.18 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.023 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -53.11 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 12.8 mptt -58.5 -68.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.053 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.696 ' OG1' HD22 ' A' ' 7' ' ' LEU . 41.3 p -111.51 -157.43 0.62 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.506 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.5 t -94.57 166.93 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.664 0.269 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' H ' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -96.94 119.45 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 111.01 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.69 -140.16 5.3 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.565 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.846 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.3 p -61.4 159.04 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.48 ' N ' HG22 ' A' ' 42' ' ' VAL . 30.9 m95 -133.98 138.78 45.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.028 0.442 . . . . 0.0 111.582 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.47 152.34 30.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.124 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -125.12 151.25 45.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.441 . . . . 0.0 111.326 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -120.92 117.01 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.427 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.54 28.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 -30.45 11.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.522 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -159.67 28.59 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.96 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mttt 56.26 79.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 4' ' ' LYS . 89.4 m -145.14 129.7 17.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.315 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.48 151.37 19.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -133.89 117.11 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 111.12 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.9 p -138.57 138.36 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.527 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.467 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -141.44 128.05 20.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.371 . . . . 0.0 110.801 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.892 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.568 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.4 m-85 -106.87 127.33 53.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.737 ' CG ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -112.66 137.23 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.307 -179.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 34' ' ' ALA . 53.0 tp -131.71 136.45 47.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.633 HG22 ' CB ' ' A' ' 15' ' ' GLU . 14.4 pt -134.88 122.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.935 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.042 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.3 mp -113.01 134.07 54.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.2 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -122.54 125.4 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.896 HD11 ' HB ' ' A' ' 38' ' ' THR . 15.7 mt -119.42 -179.32 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -11.15 44.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.3 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.95 -33.18 6.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.115 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.36 145.21 6.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.15 123.54 48.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.781 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -122.82 153.25 39.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.633 ' CB ' HG22 ' A' ' 6' ' ' ILE . 1.9 pt-20 -145.26 157.5 44.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.8 171.07 20.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.737 HD12 ' CG ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -135.14 125.59 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 5.9 mmpt? -121.32 172.44 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.691 ' O ' HD22 ' A' ' 20' ' ' LEU . 6.6 pt-20 -125.42 131.49 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -150.51 -165.55 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.905 179.746 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 22' ' ' ASP . 10.2 p -125.43 -45.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.276 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' N ' HG13 ' A' ' 21' ' ' VAL . 2.7 m-20 -122.69 140.36 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -59.9 -27.45 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.376 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.46 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.316 0.579 . . . . 0.0 109.557 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.772 HG21 HD11 ' A' ' 20' ' ' LEU . 2.5 m -71.61 -44.59 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.864 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.28 -51.81 56.39 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.8 tm-20 -51.04 -35.59 35.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.621 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -67.34 -49.25 64.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.17 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -73.2 -61.02 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.026 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.31 -47.2 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.781 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -63.85 -39.89 95.27 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.513 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -61.21 -30.28 70.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.467 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 2.8 t80 -78.4 -49.84 12.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.339 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.042 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -67.71 -31.52 71.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.587 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -79.67 -28.19 40.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.318 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 -53.09 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 111.526 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 2.2 mmtt -60.76 -67.55 0.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.294 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.896 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.2 p -109.47 -156.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 40' ' ' GLU . 19.8 t -103.72 159.45 4.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.691 0.281 . . . . 0.0 111.067 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 39' ' ' VAL . 3.2 mt-10 -99.31 113.92 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.54 -132.84 4.12 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.445 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 42' ' ' VAL . 31.3 m -70.09 113.27 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.435 0.636 . . . . 0.0 111.227 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -86.12 150.39 24.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER -156.4 113.69 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -94.87 150.47 20.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.032 0.444 . . . . 0.0 111.434 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.24 125.86 48.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.61 27.29 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.59 -35.88 15.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.126 0.488 . . . . 0.0 110.513 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 m -165.33 35.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.755 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 82.37 0.17 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.589 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 4' ' ' LYS . 85.8 m -138.74 137.51 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.419 . . . . 0.0 111.458 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -109.43 136.27 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.35 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' THR . 68.3 m -131.77 116.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 111.181 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -135.65 135.41 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.433 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 2' ' ' THR . 14.4 t . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.776 0.322 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.603 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.7 m-85 -106.28 130.47 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.683 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -111.5 137.86 48.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.644 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.6 HD11 HG12 ' A' ' 54' ' ' VAL . 29.4 tp -133.43 129.24 37.04 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.692 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.875 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.7 pt -123.55 117.5 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.123 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.1 mp -107.76 134.01 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.94 110.04 15.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.64 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.767 HD11 ' HB ' ' A' ' 38' ' ' THR . 98.6 mt -97.77 -178.93 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.197 0.522 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.27 46.03 1.15 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -166.05 -43.86 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.089 0.471 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.75 156.16 39.71 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.28 121.87 44.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.069 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -119.97 127.25 52.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.875 ' HB3' HG22 ' A' ' 6' ' ' ILE . 18.3 mt-10 -136.32 147.17 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 172.27 18.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.414 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.622 HD12 ' CB ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -132.58 128.82 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -130.38 137.92 50.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.743 ' O ' HD22 ' A' ' 20' ' ' LEU . 3.0 mp0 -84.6 145.99 27.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.743 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -149.41 -166.25 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.576 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 22' ' ' ASP . 25.7 m -111.13 -46.75 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.274 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -138.49 179.49 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.623 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.45 -41.39 19.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.191 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.85 -50.02 36.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.273 0.559 . . . . 0.0 109.801 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.411 HG22 ' CD1' ' A' ' 20' ' ' LEU . 1.7 m -70.66 -42.09 71.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.742 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.47 -53.3 38.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 3.3 mm-40 -51.6 -34.74 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.571 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -47.72 64.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.102 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -75.16 -60.63 2.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.92 -39.7 40.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.858 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 33.8 tttt -69.23 -46.84 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.69 -25.43 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -77.79 -58.25 3.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.123 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -57.22 -21.6 34.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.736 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.85 -39.34 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.64 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.5 -22.38 19.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -84.69 -37.09 21.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.668 0.271 . . . . 0.0 111.363 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.767 ' HB ' HD11 ' A' ' 9' ' ' LEU . 81.4 p -140.57 -81.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.257 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.653 HG12 HD21 ' A' ' 9' ' ' LEU . 11.3 p -173.54 159.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.051 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -98.56 108.72 21.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.27 -138.68 4.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.83 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 54' ' ' VAL . 7.9 p -61.3 158.92 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.493 ' N ' HG22 ' A' ' 42' ' ' VAL . 64.0 m95 -135.61 146.18 47.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 111.556 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.3 113.56 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.263 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 70.3 t80 -94.18 150.01 20.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 111.477 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -120.56 128.01 52.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.61 26.72 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.389 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -39.75 15.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.96 0.409 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.28 38.65 0.08 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mttp 60.77 78.86 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.758 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 4' ' ' LYS . 57.5 m -135.45 143.92 46.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.357 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.476 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 m-85 -115.09 153.88 29.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.747 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.759 HG23 ' CD1' ' A' ' 6' ' ' ILE . 26.9 m -143.71 111.6 6.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.0 p -131.98 136.25 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.655 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -141.19 171.66 13.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.001 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.83 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.848 HG22 HD11 ' A' ' 17' ' ' ILE . 31.0 m . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.861 0.362 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.669 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.1 m-85 -107.14 134.74 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.593 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -109.38 141.78 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 111.492 -179.345 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 34' ' ' ALA . 37.7 tp -137.98 142.94 40.45 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.599 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 5' ' ' LEU . 6.3 tt -131.87 127.08 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.93 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.017 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.1 mp -120.75 126.56 50.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.214 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.49 95.48 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.76 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' HB ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -90.72 177.69 6.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -84.97 -27.03 26.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.263 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.08 -40.15 31.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.61 168.06 4.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 0.0 111.393 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -94.51 121.62 36.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -123.58 121.27 35.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.938 0.399 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -147.7 133.23 18.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.79 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.848 HD11 HG22 ' A' ' 2' ' ' THR . 0.6 OUTLIER -128.47 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.8 mmpt? -122.13 173.27 7.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.685 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.789 ' C ' HD22 ' A' ' 20' ' ' LEU . 59.7 mt-10 -122.05 127.68 50.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.789 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.2 mm? -144.07 -177.02 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.624 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 t -103.53 -34.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.419 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 8.5 p-10 -145.09 -175.75 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.23 -44.78 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.318 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -46.44 -51.38 15.23 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.318 0.58 . . . . 0.0 110.028 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -68.97 -40.61 78.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.43 -52.74 52.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -51.53 -34.45 36.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.387 178.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -69.69 -50.11 47.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.259 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -71.43 -59.16 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.968 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.61 -43.38 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -179.07 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 21.6 tttt -63.59 -38.57 91.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.36 -24.2 66.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.442 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -82.31 -56.66 3.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.017 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.65 -29.72 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.49 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -83.86 -26.79 29.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.417 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.67 -54.74 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.583 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -57.89 -53.64 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.502 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.702 ' OG1' HD22 ' A' ' 7' ' ' LEU . 40.6 p -122.1 -89.27 0.6 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.536 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.531 HG12 HD11 ' A' ' 9' ' ' LEU . 13.4 p -178.28 160.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.662 0.268 . . . . 0.0 111.054 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' N ' HG22 ' A' ' 39' ' ' VAL . 27.9 mt-10 -96.99 130.95 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.81 -118.24 1.72 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.155 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.728 ' CG2' HG23 ' A' ' 55' ' ' THR . 30.2 m -83.66 103.77 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 121.314 0.578 . . . . 0.0 110.9 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -82.15 145.22 30.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.844 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' THR . 4.3 p -156.61 109.57 2.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 62.7 t80 -89.94 154.57 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 111.486 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.34 119.37 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 44.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.316 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.71 ' O ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -105.04 -30.07 10.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.565 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -172.55 39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.338 -179.79 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.01 71.49 0.56 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.773 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 4' ' ' LYS . 47.6 m -131.68 144.28 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 0.0 111.505 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 27' ' ' GLU . 26.4 m-85 -117.84 150.24 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.461 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' THR . 58.4 m -142.38 114.63 8.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.697 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 12.7 p -138.56 139.71 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.728 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -141.32 167.55 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.763 0.316 . . . . 0.0 111.136 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.989 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.496 HG21 ' HE3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.866 0.365 . . . . 0.0 111.209 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.4 m -69.52 118.62 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.591 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 1.7 m-85 -100.44 132.85 45.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.761 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.712 ' HG2' HG23 ' A' ' 17' ' ' ILE . 18.7 mttp -115.89 136.49 52.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.351 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 29.2 tp -135.9 137.64 41.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.808 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.2 pt -134.56 126.78 48.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.082 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.0 mp -112.08 133.93 53.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.255 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -119.37 98.94 6.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.818 HD11 ' HB ' ' A' ' 38' ' ' THR . 47.5 mt -82.79 -178.86 7.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.828 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -73.13 -24.08 60.56 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.57 45.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB3' HD12 ' A' ' 9' ' ' LEU . . . -173.59 98.28 0.11 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -84.79 116.04 23.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -125.38 128.14 47.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.808 ' HB3' HG22 ' A' ' 6' ' ' ILE . 1.9 mp0 -144.36 142.13 30.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.705 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.88 179.29 9.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.712 HG23 ' HG2' ' A' ' 4' ' ' LYS . 23.5 mm -137.6 130.5 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -133.41 136.96 45.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.823 ' O ' HD22 ' A' ' 20' ' ' LEU . 5.0 tt0 -89.49 144.47 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.85 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -148.21 -167.47 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.0 m -108.56 -46.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.914 0.388 . . . . 0.0 111.216 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.0 t70 -135.72 178.89 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.494 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.591 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.77 -40.2 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.07 -49.27 42.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 109.985 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -41.54 69.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.649 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.19 -53.79 38.87 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 26.1 tt0 -51.08 -34.81 31.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.276 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -47.94 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.112 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -75.08 -60.76 2.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.991 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.23 -45.38 44.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.916 -179.252 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -66.69 -41.19 88.46 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.927 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -29.88 70.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.65 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 5.2 t80 -75.71 -53.79 7.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.082 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -61.22 -27.2 68.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.4 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -84.58 -27.39 27.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.16 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.88 -52.51 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.318 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.4 OUTLIER -63.02 -55.04 29.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.818 ' HB ' HD11 ' A' ' 9' ' ' LEU . 33.6 p -129.86 -157.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.729 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.545 ' H ' HD21 ' A' ' 9' ' ' LEU . 25.5 t -92.76 159.73 2.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-O 120.783 0.325 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -112.66 105.94 14.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.081 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.88 -124.08 4.2 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.992 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 54' ' ' VAL . 17.4 m -61.51 159.24 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.669 0.271 . . . . 0.0 110.333 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -137.52 106.51 5.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.31 110.98 19.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.457 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -91.17 146.37 23.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.69 125.11 52.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.782 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.43 41.58 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -28.77 10.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.439 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 t -174.04 39.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HE3' HG21 ' A' ' 1' ' ' THR . 0.9 OUTLIER 59.95 73.91 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 -179.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -123.43 140.13 53.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.185 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.4 m-85 -118.94 131.5 56.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.499 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.759 HG23 HD11 ' A' ' 6' ' ' ILE . 6.4 m -127.01 120.74 29.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 42' ' ' VAL . 7.1 p -138.49 132.43 41.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.64 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.13 157.69 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.169 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.418 -0.801 . . . . 0.0 111.025 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.852 0.358 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 14.7 t -69.51 121.82 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.824 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.8 m-85 -103.43 136.45 43.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.585 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.794 ' HG2' HD12 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -118.31 140.79 49.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.027 0.442 . . . . 0.0 111.632 -179.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.539 HD13 ' CB ' ' A' ' 52' ' ' PHE . 31.9 tp -138.04 140.58 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.726 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.662 HG22 ' HB2' ' A' ' 15' ' ' GLU . 10.7 pt -134.68 120.25 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 34' ' ' ALA . 3.2 mp -109.9 133.96 52.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -111.8 95.2 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.675 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.653 ' CD2' HG22 ' A' ' 39' ' ' VAL . 13.6 mt -70.63 178.18 3.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -81.99 -21.5 37.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 1.3 pp0? -133.31 26.76 4.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.959 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 11' ' ' GLN . . . 178.14 162.98 0.65 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 111.315 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -129.95 110.35 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -107.46 140.13 40.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.023 0.439 . . . . 0.0 111.19 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.662 ' HB2' HG22 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -147.83 140.28 24.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.587 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.79 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.86 172.08 18.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.399 . . . . 0.0 111.337 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.794 HD12 ' HG2' ' A' ' 4' ' ' LYS . 21.7 mm -130.17 129.34 65.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' HE3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -126.62 134.22 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.932 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 32.4 mt-10 -87.48 133.72 33.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.244 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.824 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.2 mt -142.5 -172.87 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.598 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.2 m -105.13 -46.81 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.682 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 21' ' ' VAL . 5.2 t70 -134.5 169.69 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.634 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -73.59 -44.33 57.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.63 -50.3 24.78 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.258 0.551 . . . . 0.0 109.762 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -41.34 72.92 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.432 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.492 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -51.48 -53.5 36.68 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 48.7 mt-10 -51.43 -35.06 37.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.396 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -52.3 43.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.931 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 10.1 t80 -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.622 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.46 -47.87 38.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.754 -179.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.8 tttp -59.96 -34.75 73.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.848 0.356 . . . . 0.0 110.336 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.667 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.0 t80 -78.36 -55.25 5.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.325 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.9 -21.4 61.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.602 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -85.92 -53.61 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.195 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.62 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 1.5 mmtt -70.85 -68.36 0.44 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.143 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.75 ' OG1' HD22 ' A' ' 7' ' ' LEU . 19.3 p -119.73 -155.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.69 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.653 HG22 ' CD2' ' A' ' 9' ' ' LEU . 33.1 m -101.92 175.71 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -128.24 131.14 48.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.26 -100.18 0.58 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.692 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.4 t -90.84 105.84 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.403 0.621 . . . . 0.0 111.051 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -81.1 144.66 31.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.379 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' THR . 64.6 p -156.42 114.69 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.494 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -89.85 154.12 20.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.41 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 125.52 43.59 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.524 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.16 24.42 4.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.397 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -28.68 28.67 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.227 0.537 . . . . 0.0 110.993 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -177.36 38.14 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.597 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.44 77.94 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 4' ' ' LYS . 68.2 m -141.51 127.59 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.322 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.539 ' CB ' HD13 ' A' ' 5' ' ' LEU . 44.2 m-85 -94.95 150.0 20.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.4 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' THR . 75.6 m -143.73 114.26 7.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.928 0.395 . . . . 0.0 111.286 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 8.7 p -132.93 151.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.735 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.97 175.48 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.623 ' HG3' HG21 ' A' ' 39' ' ' VAL . 5.4 tt0 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.532 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 120.903 0.382 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.5 m -119.75 117.07 27.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.617 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.4 m-85 -102.03 132.41 47.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.706 ' HB3' HG23 ' A' ' 51' ' ' THR . 17.1 ttpt -105.85 138.77 41.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.917 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 57.6 tp -138.38 135.59 35.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.584 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.683 HG22 ' CB ' ' A' ' 15' ' ' GLU . 8.2 pt -133.69 119.75 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.065 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.3 mp -108.05 133.72 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.64 102.95 9.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.688 HD21 HG22 ' A' ' 39' ' ' VAL . 13.1 mt -85.91 179.32 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.683 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.37 -1.45 58.06 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.339 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -118.74 -41.15 2.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.392 . . . . 0.0 111.059 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -147.5 166.73 26.4 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 118.63 34.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.545 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -115.73 138.85 50.71 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.683 ' CB ' HG22 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -147.69 146.23 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.681 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.68 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.87 176.28 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 111.337 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.68 HD13 ' O ' ' A' ' 16' ' ' ALA . 5.9 mm -133.62 138.58 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.1 mmpt? -126.96 173.17 9.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.55 148.42 39.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.523 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.963 HD21 ' CG2' ' A' ' 25' ' ' THR . 0.1 OUTLIER -169.65 -170.0 0.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.231 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.608 ' H ' HD23 ' A' ' 20' ' ' LEU . 26.0 t -124.08 -36.2 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.451 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.513 ' O ' HD22 ' A' ' 20' ' ' LEU . 25.6 t0 -134.61 163.8 28.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.617 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -77.71 -32.45 52.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.267 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.37 -52.01 49.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.32 0.581 . . . . 0.0 109.698 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.963 ' CG2' HD21 ' A' ' 20' ' ' LEU . 5.0 m -69.87 -43.19 72.37 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.776 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.643 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.35 -51.85 56.56 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.7 tt0 -51.62 -34.63 38.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.489 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -71.32 -46.87 59.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.161 0.505 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -75.99 -58.98 2.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.353 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.23 -41.66 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.68 -178.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.3 ttmt -69.61 -34.44 74.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -26.17 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CG ' ' HG3' ' A' ' 37' ' ' LYS . 5.7 t80 -79.35 -55.99 4.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.64 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.065 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -56.42 -27.02 55.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.61 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -85.9 -45.02 11.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 0.0 111.344 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.32 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.602 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -79.56 -72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.3 -179.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.628 ' O ' HG13 ' A' ' 39' ' ' VAL . 26.1 p -105.29 -84.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.047 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.688 HG22 HD21 ' A' ' 9' ' ' LEU . 2.9 m -161.83 175.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.401 . . . . 0.0 111.176 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -115.32 105.88 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.42 -134.36 4.55 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.358 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.827 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.0 m -61.36 158.76 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.628 0 CA-C-N 116.895 0.348 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -135.07 151.16 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.158 0.504 . . . . 0.0 111.629 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.42 144.54 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.212 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -124.98 149.29 47.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.335 . . . . 0.0 111.536 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -118.79 127.76 53.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.64 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -95.24 26.65 3.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.161 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -94.11 -31.22 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.86 32.84 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 12.8 mtmt 59.7 81.86 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.706 HG23 ' HB3' ' A' ' 4' ' ' LYS . 23.4 m -135.0 141.95 46.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -112.88 152.17 29.59 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.604 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.651 HG23 HG13 ' A' ' 6' ' ' ILE . 2.1 m -143.05 119.51 10.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.906 0.384 . . . . 0.0 111.054 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -138.35 136.27 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.658 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -141.09 167.49 22.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.112 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.737 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 90.0 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.796 0.331 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 2' ' ' THR . 14.8 t -119.61 117.06 27.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.005 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.812 ' HB2' HD12 ' A' ' 20' ' ' LEU . 1.9 m-85 -100.89 142.2 32.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.709 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.772 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -118.17 132.66 56.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.091 0.472 . . . . 0.0 111.617 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 27.0 tp -133.98 133.19 41.03 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.88 HG22 ' CB ' ' A' ' 15' ' ' GLU . 15.7 pt -129.49 122.89 56.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.976 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.3 mp -108.92 122.44 47.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.98 105.2 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' CD2' HG12 ' A' ' 39' ' ' VAL . 42.2 mt -92.98 169.74 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.665 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.67 54.45 3.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.029 0.443 . . . . 0.0 110.951 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -176.36 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.781 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.98 157.54 40.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -103.85 118.14 35.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -115.71 117.97 31.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.88 ' CB ' HG22 ' A' ' 6' ' ' ILE . 4.6 pt-20 -130.22 149.86 51.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 168.06 28.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.257 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.54 HD12 ' CG ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -129.26 137.05 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 4.8 mmpt? -122.88 173.13 7.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.79 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 19.3 mt-10 -120.53 115.17 22.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.1 mt -137.84 -168.86 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 22' ' ' ASP . 16.9 m -118.79 -47.44 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.58 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 21' ' ' VAL . 30.7 t70 -123.75 164.33 19.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -73.67 -41.0 63.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.04 -49.7 40.01 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.182 0.515 . . . . 0.0 109.81 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.481 HG22 HD22 ' A' ' 20' ' ' LEU . 1.6 m -70.23 -42.22 72.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.565 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -51.62 -52.68 45.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.19 -35.71 37.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.425 178.322 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -50.95 66.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.706 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -72.7 -63.62 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.768 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.05 -50.89 10.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.89 -179.613 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 2.4 tttt -60.69 -42.09 96.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.705 0.288 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -28.68 69.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -75.2 -57.9 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.976 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -56.91 -31.5 64.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.323 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -73.17 -36.02 66.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.98 -54.88 3.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.494 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -56.51 -73.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.38 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.783 ' OG1' HD22 ' A' ' 7' ' ' LEU . 63.2 p -107.77 -158.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.631 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 9' ' ' LEU . 12.3 p -96.53 158.9 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.046 0 CA-C-O 120.922 0.391 . . . . 0.0 111.185 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -97.87 117.07 31.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.052 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.41 -142.02 5.05 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.64 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 54' ' ' VAL . 10.1 p -61.24 137.13 23.99 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 120.922 0.391 . . . . 0.0 110.963 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -109.74 133.34 53.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.393 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.93 108.33 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.234 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -89.84 148.46 23.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 111.401 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -119.47 122.12 40.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.498 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.76 36.6 1.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -98.66 -28.34 13.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.755 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.8 t -174.15 37.16 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.4 76.7 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.75 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.772 HG23 ' HB3' ' A' ' 4' ' ' LYS . 53.5 m -140.21 124.64 17.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.352 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 27' ' ' GLU . 40.1 m-85 -94.04 150.21 20.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.474 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 m -143.83 94.64 2.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 42' ' ' VAL . 8.0 p -116.41 137.57 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.721 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.524 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -141.14 169.48 17.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.9 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.718 0.294 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.784 HG22 HD11 ' A' ' 17' ' ' ILE . 27.5 m -116.84 117.02 28.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.59 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.2 m-85 -101.57 134.59 44.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.73 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.658 ' HB3' HG23 ' A' ' 51' ' ' THR . 8.6 tttp -111.74 141.42 45.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.94 0.4 . . . . 0.0 111.507 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 6' ' ' ILE . 24.7 tp -137.75 142.9 40.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.4 tt -130.08 127.91 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.079 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.02 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.2 mp -124.34 125.76 44.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.839 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -108.98 95.93 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.604 HD11 ' HB ' ' A' ' 38' ' ' THR . 18.1 mt -82.35 172.4 13.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.712 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -33.8 76.47 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.248 0.547 . . . . 0.0 111.031 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -69.44 -52.1 30.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.7 173.8 8.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -89.36 123.35 33.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.33 133.71 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -127.97 154.7 45.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.89 166.1 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.276 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.784 HD11 HG22 ' A' ' 2' ' ' THR . 0.9 OUTLIER -135.89 125.89 41.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -128.87 136.65 50.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.714 -179.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.814 ' C ' HD22 ' A' ' 20' ' ' LEU . 1.5 mt-10 -89.93 134.79 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.003 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.814 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.6 mm? -138.91 -178.51 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.2 m -90.98 -45.93 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.304 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -140.87 -171.68 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.504 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.59 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.4 -45.96 11.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.271 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.59 -49.76 18.42 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.345 0.593 . . . . 0.0 110.007 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -70.55 -40.21 73.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.513 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.82 -54.06 33.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.8 mt-10 -51.62 -33.89 35.19 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.477 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.54 -46.8 58.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -74.61 -58.73 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.891 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.87 -38.62 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.633 -179.269 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -70.1 -37.6 75.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 0.0 110.371 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -24.86 66.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.657 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 9.5 t80 -80.27 -57.33 3.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.02 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.64 -29.0 67.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.451 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -81.7 -29.16 33.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.54 -56.86 2.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.382 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -57.96 -60.96 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.594 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.829 ' OG1' HD22 ' A' ' 7' ' ' LEU . 10.5 p -113.38 -156.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.519 ' H ' HD21 ' A' ' 9' ' ' LEU . 12.4 t -100.44 160.73 3.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' HG12 ' A' ' 39' ' ' VAL . 11.3 tt0 -97.98 118.34 34.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.263 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.77 -138.27 4.16 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.816 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 54' ' ' VAL . 19.1 m -61.46 155.44 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -129.4 152.16 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.99 0.424 . . . . 0.0 111.678 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.46 162.53 39.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.087 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -138.28 148.91 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.087 0.47 . . . . 0.0 111.449 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -123.44 126.18 46.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.496 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.46 25.1 3.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.339 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 49' ' ' THR . 7.4 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -173.53 36.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 O-C-N 123.467 0.479 . . . . 0.0 110.726 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.45 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.663 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.658 HG23 ' HB3' ' A' ' 4' ' ' LYS . 62.4 m -142.24 127.18 18.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 111.451 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -96.23 156.19 16.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.559 HG23 HG23 ' A' ' 6' ' ' ILE . 6.9 m -140.39 116.97 10.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.94 0.4 . . . . 0.0 111.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -138.47 140.89 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.629 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.524 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -141.4 149.76 41.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.616 0.246 . . . . 0.0 111.174 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--O 1.254 1.312 0 CA-C-O 117.902 -1.046 . . . . 0.0 110.714 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.738 0.304 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 15.1 t -69.44 127.34 32.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.682 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.0 m-85 -100.88 142.11 32.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.805 ' HB2' HG23 ' A' ' 51' ' ' THR . 43.7 mttt -119.97 132.71 55.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.366 . . . . 0.0 111.282 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 52' ' ' PHE . 42.6 tp -131.46 134.82 46.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.674 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.897 HG23 HG23 ' A' ' 53' ' ' THR . 1.9 tt -129.82 134.2 63.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.831 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.873 HD21 ' CB ' ' A' ' 34' ' ' ALA . 5.0 mp -125.66 134.15 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -124.75 111.97 16.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.799 HD11 HG23 ' A' ' 38' ' ' THR . 95.9 mt -104.71 174.6 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 2.86 39.29 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -167.6 32.63 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.011 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.64 ' HB3' HD12 ' A' ' 9' ' ' LEU . . . -176.88 99.13 0.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.922 0.392 . . . . 0.0 111.404 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 123.33 39.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.879 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -137.59 132.15 32.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.947 0.403 . . . . 0.0 111.11 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.14 132.71 25.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.496 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.765 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.82 174.17 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.029 0.442 . . . . 0.0 111.424 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.765 HD13 ' O ' ' A' ' 16' ' ' ALA . 13.2 mm -133.65 145.66 33.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -127.32 173.11 10.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 5.4 mt-10 -120.66 116.31 25.05 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.793 HD22 HG22 ' A' ' 25' ' ' THR . 2.0 mt -138.17 -170.83 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.729 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.9 m -112.85 -47.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.632 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.8 p30 -126.9 175.27 8.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.926 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.675 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -81.44 -35.61 30.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.92 -50.24 47.08 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.263 0.554 . . . . 0.0 109.89 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.793 HG22 HD22 ' A' ' 20' ' ' LEU . 1.5 m -71.9 -42.13 67.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.758 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.697 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.67 -53.95 33.35 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.1 mt-10 -50.85 -35.37 32.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.35 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -48.68 73.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.998 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -75.37 -63.15 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.534 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -46.27 -39.9 10.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.133 -179.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 13.3 tttt -72.17 -44.24 63.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.821 0.343 . . . . 0.0 110.849 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -28.41 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.583 ' HE1' HD13 ' A' ' 7' ' ' LEU . 20.0 t80 -77.07 -55.35 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.873 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -65.22 -22.1 66.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.626 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.63 -38.12 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 111.074 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 -63.87 1.17 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.538 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -59.33 -33.03 70.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.525 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.799 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -128.86 -155.29 0.69 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.914 -179.678 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.421 HG22 HD21 ' A' ' 9' ' ' LEU . 26.8 m -122.23 176.94 4.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -96.87 109.83 22.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.51 -147.44 6.98 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.422 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.44 106.05 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.385 0.612 . . . . 0.0 110.906 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -78.72 151.77 31.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.591 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.48 145.07 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.46 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 40.7 t80 -131.72 155.71 47.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.415 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -126.4 122.79 36.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.499 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -95.03 35.22 1.29 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.212 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 49' ' ' THR . 84.4 mt-10 -108.93 -32.03 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.315 0.578 . . . . 0.0 110.933 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 48' ' ' GLU . 23.1 p -159.88 29.18 0.18 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.657 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.4 75.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.717 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.805 HG23 ' HB2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -126.95 141.4 51.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.091 0.472 . . . . 0.0 111.418 -179.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.51 ' HB3' HD13 ' A' ' 5' ' ' LEU . 12.0 m-85 -119.97 145.09 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.486 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.897 HG23 HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -143.73 121.38 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 9.9 p -138.4 126.04 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.061 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.1 156.96 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.834 179.745 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.646 HG22 ' HD2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.763 0.316 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 2' ' ' THR . 12.4 t -69.58 120.55 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.602 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.8 m-85 -106.85 129.0 54.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.697 ' HB3' HG23 ' A' ' 51' ' ' THR . 4.0 tttt -108.26 143.02 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 52.4 tp -135.98 142.83 44.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.89 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.472 HG23 HG23 ' A' ' 53' ' ' THR . 3.4 tt -134.55 132.09 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.956 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.7 mp -122.4 133.85 54.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.223 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -126.24 84.5 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.59 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.928 HD22 ' CG2' ' A' ' 38' ' ' THR . 2.0 pt? -96.98 164.5 12.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.047 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.03 -29.05 19.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.828 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' CG ' ' CD1' ' A' ' 9' ' ' LEU . 19.1 mm-40 -64.53 -48.75 73.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.665 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 179.2 -172.71 0.16 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -110.97 110.75 21.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.787 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -125.89 146.24 49.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -147.73 161.53 41.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.58 176.24 12.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 4' ' ' LYS . 5.5 tp -134.13 133.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.9 mmpt? -125.56 173.03 9.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.811 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -125.18 132.31 53.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.694 HD13 ' HA ' ' A' ' 26' ' ' ALA . 1.9 mt -156.46 -167.82 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.58 -61.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.44 177.37 4.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.403 . . . . 0.0 110.977 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.79 -33.3 27.32 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.32 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.649 ' CG2' HD22 ' A' ' 20' ' ' LEU . 2.8 m -71.42 -43.82 66.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.733 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.694 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.01 -52.83 39.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 4.4 tm-20 -51.78 -34.87 41.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.276 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -48.89 65.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.058 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.99 -60.86 2.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.829 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.19 -45.67 44.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.777 -179.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.0 tmtm? -66.1 -32.23 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.396 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -30.9 70.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.66 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -74.89 -54.45 7.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.515 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.956 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.29 -26.94 65.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.369 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -79.31 -28.94 42.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.069 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.09 -62.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -62.76 -58.58 6.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.928 ' CG2' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -102.36 -155.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.2 t -115.91 168.8 7.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.113 0 CA-C-O 120.817 0.341 . . . . 0.0 110.699 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' H ' HG12 ' A' ' 39' ' ' VAL . 61.2 tt0 -96.68 106.53 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -129.54 -127.27 2.92 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.422 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.0 t -61.81 160.1 2.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' N ' HG12 ' A' ' 42' ' ' VAL . 51.6 m95 -146.14 129.13 16.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.98 0.419 . . . . 0.0 111.249 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.11 116.66 6.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.609 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -91.19 151.56 20.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.31 85.15 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.676 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -20.33 48.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -52.04 -32.68 35.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -154.54 25.16 0.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.874 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.646 ' HD2' HG22 ' A' ' 1' ' ' THR . 0.1 OUTLIER 52.73 75.45 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.19 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 4' ' ' LYS . 91.2 m -141.84 123.54 15.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HB2' HD13 ' A' ' 5' ' ' LEU . 50.6 m-85 -90.52 148.92 22.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.695 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.472 HG23 HG23 ' A' ' 6' ' ' ILE . 13.1 m -136.71 122.32 19.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.984 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.4 p -138.54 146.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.14 134.69 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.744 0.307 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.765 179.74 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.74 0.305 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 t -72.21 125.91 28.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.995 0.426 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.76 ' HB2' HD23 ' A' ' 20' ' ' LEU . 5.0 m-85 -104.24 132.36 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.773 ' HD3' HD13 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -110.98 135.65 51.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 111.488 -179.335 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 41.8 tp -126.98 142.95 51.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.989 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 5' ' ' LEU . 4.9 tt -134.44 129.22 52.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.073 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.975 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.4 mp -123.39 128.9 50.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -104.0 92.09 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.674 HD21 HG22 ' A' ' 39' ' ' VAL . 6.7 mt -82.06 159.95 23.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.151 0.501 . . . . 0.0 110.62 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -64.64 -31.75 73.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.093 0.473 . . . . 0.0 111.511 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -79.02 -48.96 13.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.829 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.74 175.11 14.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.4 118.57 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -115.1 128.91 56.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.53 140.03 25.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.26 175.1 10.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.773 HD13 ' HD3' ' A' ' 4' ' ' LYS . 6.7 tp -121.5 147.03 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 1.1 mmtp -133.38 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.074 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.806 ' C ' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -123.02 110.74 15.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.165 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 19' ' ' GLU . 2.1 mm? -131.71 -174.8 3.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.415 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.6 m -109.69 -46.6 6.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.44 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.573 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 9.5 p-10 -127.64 168.16 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.771 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.627 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -75.84 -39.64 56.28 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.178 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.573 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -49.3 -48.75 45.96 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 109.888 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -71.33 -41.78 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.634 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.54 -54.15 30.38 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 12.8 tt0 -51.19 -34.64 32.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.549 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -49.7 59.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.238 0.542 . . . . 0.0 110.142 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -71.99 -60.54 2.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.595 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.44 -48.97 47.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.748 -179.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 8.5 ttpt -61.89 -34.76 76.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.664 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -28.28 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 6.9 t80 -79.2 -55.67 4.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.975 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -58.83 -23.43 60.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.49 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -84.26 -36.54 22.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.277 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.59 -59.29 2.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.296 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 2.4 mptp? -55.97 -43.44 77.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.219 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.734 ' OG1' HD22 ' A' ' 7' ' ' LEU . 13.3 p -143.06 -155.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.671 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.674 HG22 HD21 ' A' ' 9' ' ' LEU . 13.4 m -102.64 174.04 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.36 123.34 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.013 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.51 -120.12 2.26 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.453 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 21.2 t -69.23 112.68 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.306 0.574 . . . . 0.0 111.11 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -89.8 150.78 22.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.359 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.2 OUTLIER -156.75 109.33 2.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.13 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -89.75 146.31 24.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.439 . . . . 0.0 111.319 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.2 119.94 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.43 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.53 35.27 1.12 Allowed 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.249 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 49' ' ' THR . 31.3 tt0 -100.89 -31.58 11.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.476 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -162.91 30.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.356 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 59.63 80.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.816 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.49 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.4 m -142.66 134.81 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 111.394 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -104.77 131.95 51.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.474 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 44' ' ' THR . 63.8 m -118.84 118.13 30.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 11.1 p -138.33 142.42 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -141.48 172.65 12.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' HG23 ' A' ' 39' ' ' VAL . 3.7 tm-20 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.631 0.253 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 11.8 t -69.39 127.52 33.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.789 ' HB2' HD12 ' A' ' 20' ' ' LEU . 3.4 m-85 -106.3 135.67 47.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.732 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.834 ' CG ' HD12 ' A' ' 17' ' ' ILE . 6.9 mtmm -111.74 139.62 47.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.601 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 55.4 tp -137.88 136.04 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.563 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.856 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.1 pp -134.53 121.65 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.018 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.9 mp -104.85 130.97 52.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.78 100.63 9.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.049 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.602 HD21 HG12 ' A' ' 39' ' ' VAL . 11.0 mt -93.68 167.93 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -82.47 -21.53 35.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 111.585 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -96.67 -37.19 10.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.385 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.03 -178.91 6.64 Favored 'General case' 0 C--O 1.227 -0.113 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.21 111.57 12.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.736 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.81 126.03 52.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.856 ' HB3' HG22 ' A' ' 6' ' ' ILE . 19.8 mp0 -142.99 137.88 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.783 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.782 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -155.08 177.77 10.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.998 0.427 . . . . 0.0 111.469 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.834 HD12 ' CG ' ' A' ' 4' ' ' LYS . 30.7 mm -132.79 139.24 50.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -126.96 172.93 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.754 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.1 OUTLIER -120.3 124.85 46.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.929 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.789 HD12 ' HB2' ' A' ' 3' ' ' TYR . 1.7 mt -141.21 -172.87 3.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.66 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.6 t -109.4 -34.1 2.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 111.661 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.34 179.87 6.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.911 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.691 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -83.32 -43.97 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.345 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.5 -49.56 25.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.335 0.588 . . . . 0.0 110.012 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.594 HG22 HD22 ' A' ' 20' ' ' LEU . 1.3 m -71.67 -40.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.429 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.16 -53.53 41.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.3 tt0 -51.15 -35.42 35.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.319 178.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -50.65 63.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.994 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -71.62 -62.04 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.714 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -48.04 -48.67 32.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.99 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -61.46 -40.46 94.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -27.22 69.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.414 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 7.7 t80 -78.06 -56.89 4.12 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.018 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -55.78 -31.96 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.786 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -79.68 -29.29 40.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.592 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.6 -53.58 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.571 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 4.9 mptt -57.2 -64.94 0.72 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.616 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.759 ' OG1' HD22 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -108.83 -86.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.591 0.234 . . . . 0.0 111.628 -179.303 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.602 HG12 HD21 ' A' ' 9' ' ' LEU . 12.7 p -176.01 162.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.045 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -96.71 144.12 27.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.144 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -165.52 -129.75 1.08 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.134 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 54' ' ' VAL . 22.9 t -61.46 142.37 16.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -127.05 145.01 50.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.198 0.523 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.44 132.58 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.036 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -110.95 147.48 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.458 . . . . 0.0 111.509 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -116.27 124.95 51.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.465 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.91 23.72 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.362 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.71 -35.62 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.579 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -164.72 32.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.603 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 61.16 82.24 0.17 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 4' ' ' LYS . 89.6 m -143.26 130.12 20.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.03 0.443 . . . . 0.0 111.481 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HB2' HD13 ' A' ' 5' ' ' LEU . 40.3 m-85 -100.19 150.79 22.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.438 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 44' ' ' THR . 1.6 t -143.96 106.18 4.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.922 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 42' ' ' VAL . 7.6 p -118.64 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.5 166.56 22.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.029 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.766 0.317 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.763 HG22 HD11 ' A' ' 17' ' ' ILE . 31.3 m -118.27 117.15 28.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.615 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.2 m-85 -101.0 133.88 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.736 ' HB3' HG23 ' A' ' 51' ' ' THR . 5.2 tttt -114.76 135.53 54.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.983 0.42 . . . . 0.0 111.574 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.484 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 20.0 tp -137.95 133.85 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.994 HD11 HG23 ' A' ' 53' ' ' THR . 2.2 pp -134.77 131.04 53.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.0 HD21 ' HB1' ' A' ' 34' ' ' ALA . 3.8 mp -118.17 134.03 55.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -120.39 130.34 54.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.583 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD11 ' HB ' ' A' ' 38' ' ' THR . 51.9 mt -120.6 -179.0 3.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.689 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -97.89 24.74 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -152.45 -45.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.6 145.77 45.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -117.31 124.38 48.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.181 0.515 . . . . 0.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -126.43 136.79 53.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.814 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.88 ' HB3' HG22 ' A' ' 6' ' ' ILE . 20.8 mt-10 -145.36 142.23 29.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.85 178.94 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 111.458 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.763 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -138.21 133.79 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.72 137.53 45.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -92.58 138.76 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.002 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.727 HD22 HG22 ' A' ' 25' ' ' THR . 1.5 mt -142.81 -176.41 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 22' ' ' ASP . 34.4 m -95.09 -45.76 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.867 0.365 . . . . 0.0 111.459 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -137.58 -177.86 4.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -83.26 -41.45 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.185 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.88 -50.4 26.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.407 0.622 . . . . 0.0 109.919 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.727 HG22 HD22 ' A' ' 20' ' ' LEU . 1.6 m -69.94 -41.36 74.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.72 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.1 -54.64 27.95 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -49.86 -35.09 22.01 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.583 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -51.02 40.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -71.1 -59.26 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.116 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.35 -52.61 44.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.936 -179.052 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -60.13 -32.25 70.83 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.769 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.13 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.787 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.452 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 3.1 t80 -72.21 -49.63 33.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.405 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.0 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -63.8 -25.64 68.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.567 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.75 -27.81 24.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.23 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.75 -40.86 11.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.38 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 4.7 mmpt? -73.52 -67.93 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.076 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.887 ' OG1' HD22 ' A' ' 7' ' ' LEU . 61.6 p -109.11 -158.85 0.66 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.658 HG23 ' CB ' ' A' ' 56' ' ' GLU . 4.4 m -98.22 172.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.775 0.321 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -100.83 123.28 44.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -138.52 -134.65 3.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.813 ' O ' HG23 ' A' ' 54' ' ' VAL . 27.3 m -61.76 157.44 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.536 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -136.36 109.49 7.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 109.56 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.354 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -89.95 156.73 18.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.004 0.431 . . . . 0.0 111.313 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.57 114.38 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.85 28.38 2.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -103.76 -28.57 11.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.162 0.506 . . . . 0.0 110.952 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -158.21 27.75 0.25 Allowed 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.802 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.81 77.76 0.2 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 4' ' ' LYS . 75.2 m -142.12 127.06 18.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.045 0.45 . . . . 0.0 111.298 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' HB2' HD13 ' A' ' 5' ' ' LEU . 44.5 m-85 -96.56 146.12 25.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.36 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.994 HG23 HD11 ' A' ' 6' ' ' ILE . 65.6 m -140.19 107.85 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.338 . . . . 0.0 111.393 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.1 p -122.59 140.53 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.436 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 2.2 m -134.95 152.3 51.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.688 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.658 ' CB ' HG23 ' A' ' 39' ' ' VAL . 4.3 tm-20 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.635 -0.698 . . . . 0.0 110.732 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 2' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.866 0.365 . . . . 0.0 111.089 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.695 HG22 HD11 ' A' ' 17' ' ' ILE . 32.7 m -118.26 116.94 27.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.772 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.612 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.5 m-85 -101.25 130.32 47.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HB3' HG23 ' A' ' 51' ' ' THR . 1.6 ttmt -112.56 138.84 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.231 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 41.6 tp -136.4 132.35 35.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.662 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.633 HG22 ' HB2' ' A' ' 15' ' ' GLU . 1.2 pt -130.23 122.82 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD21 ' CB ' ' A' ' 34' ' ' ALA . 4.1 mp -107.23 133.65 51.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.93 70.07 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.649 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.871 HD12 ' HG2' ' A' ' 11' ' ' GLN . 1.9 pt? -78.24 170.03 17.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -50.75 11.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.871 ' HG2' HD12 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -59.07 -17.89 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -178.8 -168.0 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.191 0.52 . . . . 0.0 111.829 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -133.33 106.92 7.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -107.71 133.51 52.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.91 0.386 . . . . 0.0 111.395 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.633 ' HB2' HG22 ' A' ' 6' ' ' ILE . 2.9 pp20? -147.88 140.69 24.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.7 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.91 -178.3 7.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.956 0.408 . . . . 0.0 111.611 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.695 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -140.97 132.42 28.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.891 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -135.2 136.72 42.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 17.1 mt-10 -89.79 152.1 21.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.788 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.671 HD13 ' HA ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -163.35 -166.62 1.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.49 -48.21 10.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -135.31 -177.24 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.897 0.379 . . . . 0.0 111.175 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.44 -36.51 20.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.0 -50.97 45.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.211 0.529 . . . . 0.0 109.613 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.585 ' CG2' HD22 ' A' ' 20' ' ' LEU . 2.6 m -70.79 -43.03 69.52 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.635 178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.671 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -51.2 -53.22 37.02 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.4 tt0 -51.12 -34.94 32.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.452 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -68.13 -46.75 69.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.152 0.501 . . . . 0.0 110.181 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -76.75 -61.15 2.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.756 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.0 -37.41 20.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.852 -179.264 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 17.3 tttm -74.64 -34.32 62.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 0.0 110.405 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.46 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' HE1' HD13 ' A' ' 7' ' ' LEU . 6.5 t80 -79.76 -55.0 5.31 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.859 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.32 -35.82 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.6 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -76.73 -38.34 54.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.195 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.58 5.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.486 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -70.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.308 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.854 ' CG2' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -88.48 -156.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 40' ' ' GLU . 12.0 t -109.97 162.7 7.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-O 120.699 0.285 . . . . 0.0 110.812 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.488 ' N ' HG12 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -97.0 106.07 18.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.996 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.74 -134.9 4.09 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.395 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.837 ' O ' HG23 ' A' ' 54' ' ' VAL . 18.0 t -61.7 155.52 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.402 ' N ' HG12 ' A' ' 42' ' ' VAL . 37.3 m95 -132.95 146.33 51.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.935 0.398 . . . . 0.0 111.573 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.844 ' OG1' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.48 155.26 31.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.254 179.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.423 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 63.5 t80 -130.7 155.21 46.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 111.292 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 1.6 mmmm -121.26 122.98 41.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.491 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.26 22.45 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -33.24 14.36 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.37 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -164.16 31.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 1.9 mttp 59.69 85.21 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.745 HG23 ' HB3' ' A' ' 4' ' ' LYS . 30.6 m -141.31 128.14 20.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.463 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 36.0 m-85 -100.39 150.31 22.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.445 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.844 HG23 ' OG1' ' A' ' 44' ' ' THR . 0.6 OUTLIER -143.92 120.47 11.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.419 . . . . 0.0 111.192 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.8 p -133.41 122.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.494 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 t -119.76 168.57 10.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.19 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.768 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.756 0.313 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.563 HG22 HD11 ' A' ' 17' ' ' ILE . 32.5 m -69.5 123.61 21.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.74 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.2 m-85 -100.8 140.8 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.645 ' HB3' HG23 ' A' ' 51' ' ' THR . 2.3 tttt -117.81 132.3 56.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.355 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 42.5 tp -126.4 135.67 51.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.67 133.85 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.846 HD23 HG13 ' A' ' 54' ' ' VAL . 1.2 mp -128.77 133.83 48.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -114.33 119.15 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.52 HD13 HE21 ' A' ' 11' ' ' GLN . 5.7 mt -101.69 -178.89 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -91.44 49.48 1.6 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.52 HE21 HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -178.14 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.38 146.39 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.76 123.77 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.629 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -121.08 138.7 54.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.26 142.59 30.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.669 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.18 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.609 HD12 ' CB ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -126.76 134.48 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 6.9 mmpt? -126.27 173.21 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.961 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.08 123.63 49.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.671 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.858 HD22 HG23 ' A' ' 25' ' ' THR . 2.3 mt -142.5 -173.45 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.937 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 22' ' ' ASP . 35.5 m -103.98 -47.55 10.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 120.804 0.335 . . . . 0.0 111.537 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.505 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -137.09 -173.86 3.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.295 179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -81.49 -31.86 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.708 0.29 . . . . 0.0 110.71 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.82 -47.85 73.57 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.292 0.568 . . . . 0.0 109.603 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.858 HG23 HD22 ' A' ' 20' ' ' LEU . 2.8 t -70.53 -43.28 69.91 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.792 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.688 ' HA ' HD13 ' A' ' 20' ' ' LEU . . . -52.78 -56.61 14.41 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 17.5 tt0 -46.53 -36.48 6.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.704 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -51.96 38.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.032 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CZ ' ' HD3' ' A' ' 18' ' ' LYS . 11.4 t80 -70.95 -59.64 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.127 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -50.92 -50.03 58.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.032 -179.097 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 10.3 tttt -62.48 -30.57 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.579 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -29.04 64.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.756 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 8.1 t80 -74.99 -56.66 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.618 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.746 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.97 -21.84 46.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.477 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -83.73 -36.3 23.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.743 0.306 . . . . 0.0 111.279 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 -22.82 19.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.731 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -99.94 -69.44 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.337 -179.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.426 HG22 ' HG ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -99.37 -155.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.899 -179.628 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.3 t -115.61 167.78 7.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.662 0.268 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' H ' HG12 ' A' ' 39' ' ' VAL . 9.0 pt-20 -96.8 111.6 23.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.86 -139.15 5.44 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.033 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 55' ' ' THR . 5.1 m -74.82 100.41 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 CA-C-O 121.357 0.598 . . . . 0.0 110.98 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.402 ' CD1' HG21 ' A' ' 54' ' ' VAL . 23.8 m95 -74.43 149.13 40.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.682 -179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.447 ' HB ' HG23 ' A' ' 53' ' ' THR . 0.0 OUTLIER -156.6 168.39 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.033 179.265 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -139.94 145.71 38.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.533 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -116.28 129.59 56.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.695 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.13 18.53 9.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.539 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 49' ' ' THR . 4.7 mm-40 -79.66 -31.97 41.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.697 0.284 . . . . 0.0 110.983 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -172.97 35.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.48 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.51 79.66 0.22 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.4 m -135.64 124.45 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.529 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' HD12 ' A' ' 5' ' ' LEU . 37.6 m-85 -90.65 123.54 34.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.518 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' HB ' ' A' ' 44' ' ' THR . 9.8 t -121.73 118.7 29.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 110.79 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.846 HG13 HD23 ' A' ' 7' ' ' LEU . 10.1 p -138.37 140.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.73 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.552 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -140.73 153.71 46.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.949 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 2' ' ' THR . 1.3 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.94 0.4 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.468 ' H ' HG22 ' A' ' 1' ' ' THR . 15.3 t -69.55 125.08 25.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.638 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.1 m-85 -100.72 137.41 39.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.87 ' CG ' HD12 ' A' ' 17' ' ' ILE . 23.4 mtmt -114.29 131.43 56.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 0.0 111.404 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 27.4 tp -128.4 138.22 52.23 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.958 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.717 HG22 ' CB ' ' A' ' 15' ' ' GLU . 5.6 pt -134.69 118.09 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.857 HD21 ' CB ' ' A' ' 34' ' ' ALA . 2.2 mp -108.82 133.95 52.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.109 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -122.39 100.78 7.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.876 HD21 ' CG2' ' A' ' 39' ' ' VAL . 11.4 mt -93.78 178.01 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.794 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -79.7 -27.32 40.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.245 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -86.24 -49.1 7.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.811 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.95 149.57 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.11 124.12 50.28 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.503 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.28 144.95 46.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.717 ' CB ' HG22 ' A' ' 6' ' ' ILE . 8.0 pm0 -139.15 141.98 38.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.746 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' O ' HD13 ' A' ' 17' ' ' ILE . . . -154.83 165.65 35.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.467 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.87 HD12 ' CG ' ' A' ' 4' ' ' LYS . 30.4 mm -123.64 139.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -133.21 169.81 16.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 3.1 pt-20 -102.82 137.6 40.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.416 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.937 HD11 HG22 ' A' ' 25' ' ' THR . 0.3 OUTLIER -147.85 172.57 13.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.2 t -109.82 -33.76 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.89 178.08 8.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.638 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -84.04 -47.19 11.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.181 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.25 -49.59 17.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.242 0.544 . . . . 0.0 109.771 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.937 HG22 HD11 ' A' ' 20' ' ' LEU . 5.8 m -70.41 -41.29 73.15 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.508 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -50.25 -54.98 17.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -51.16 -34.55 31.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.531 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -49.92 57.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.051 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -72.32 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -45.8 -53.29 9.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.616 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -31.73 70.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 110.515 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -31.0 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.551 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.422 ' CE2' ' HG2' ' A' ' 37' ' ' LYS . 5.6 t80 -75.81 -51.29 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.471 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.857 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -63.14 -25.16 68.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.512 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -79.11 -42.67 25.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.078 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.34 4.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HG2' ' CE2' ' A' ' 33' ' ' TYR . 3.8 mptt -61.49 -69.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.581 ' OG1' HD22 ' A' ' 7' ' ' LEU . 16.8 p -108.67 -155.07 0.55 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.787 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.876 ' CG2' HD21 ' A' ' 9' ' ' LEU . 15.6 m -108.16 174.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.089 0 CA-C-O 120.891 0.377 . . . . 0.0 111.076 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -105.99 128.6 53.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.17 -143.07 4.08 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.373 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.69 ' CG2' HG23 ' A' ' 55' ' ' THR . 30.7 m -61.64 132.49 27.29 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.085 0.469 . . . . 0.0 110.4 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CD2' ' HB ' ' A' ' 54' ' ' VAL . 54.9 m95 -109.59 148.37 31.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.457 -178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' THR . 53.4 p -154.65 111.26 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.077 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 65.0 t80 -89.73 154.61 19.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.428 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -124.06 128.69 49.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.677 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.03 27.91 3.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 49' ' ' THR . 4.9 tt0 -86.02 -35.06 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.336 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -172.24 39.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.465 179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.0 mttt 61.57 79.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.659 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.559 HG23 ' HB2' ' A' ' 4' ' ' LYS . 40.1 m -138.47 126.32 22.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.109 0.48 . . . . 0.0 111.376 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 15.5 m-85 -97.38 146.91 24.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.154 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 44' ' ' THR . 78.9 m -143.73 109.89 5.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.774 0.321 . . . . 0.0 111.044 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 42' ' ' VAL . 10.1 p -128.22 140.95 47.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.69 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -140.94 170.24 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.972 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 2' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.749 0.309 . . . . 0.0 111.16 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.619 HG22 HD11 ' A' ' 17' ' ' ILE . 54.5 m -69.47 117.18 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.644 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.2 m-85 -102.1 135.41 43.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.679 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.4 OUTLIER -113.29 135.86 53.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.43 -179.651 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 49.6 tp -133.59 137.24 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.804 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.919 HG22 ' HB2' ' A' ' 15' ' ' GLU . 12.2 pt -134.62 120.3 31.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.02 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.5 mp -110.13 129.08 55.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.61 97.02 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.723 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.726 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.4 pt? -100.75 -179.1 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.889 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -75.76 -57.17 4.04 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.692 ' HG2' HD12 ' A' ' 9' ' ' LEU . 5.9 pt20 -60.7 -18.0 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' A' ' 9' ' ' LEU . . . -179.17 -170.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 112.227 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -133.38 110.64 10.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -107.54 129.57 54.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.935 0.397 . . . . 0.0 111.331 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.919 ' HB2' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -147.77 140.79 24.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.521 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.9 175.81 13.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 111.41 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.619 HD11 HG22 ' A' ' 2' ' ' THR . 0.9 OUTLIER -128.63 134.64 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.922 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -128.68 173.2 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.918 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.764 ' C ' HD22 ' A' ' 20' ' ' LEU . 3.4 mt-10 -118.57 137.75 53.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' C ' ' A' ' 19' ' ' GLU . 2.6 mm? -146.92 -177.03 5.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.7 t -100.88 -30.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.001 0.429 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.25 177.48 11.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.135 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.644 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -71.87 -31.5 66.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.692 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -52.0 60.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.068 0.461 . . . . 0.0 109.783 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.457 HG23 HD12 ' A' ' 20' ' ' LEU . 1.6 t -71.19 -38.25 72.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.088 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -54.94 -56.61 17.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.0 mt-10 -48.12 -35.19 11.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.874 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -72.48 -46.82 53.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.306 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -75.27 -57.25 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -54.65 -40.59 69.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.059 -179.127 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 14.5 tttt -69.49 -43.88 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.714 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -32.84 73.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.026 0.441 . . . . 0.0 110.339 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 5.4 t80 -69.04 -53.61 19.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.259 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.02 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -63.17 -27.06 69.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -70.61 -36.05 73.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.68 -28.04 16.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.599 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' CE ' ' CE2' ' A' ' 33' ' ' TYR . 2.1 mptp? -67.18 -79.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.505 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.586 ' CG2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -110.32 -94.92 0.42 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.39 -179.506 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 40' ' ' GLU . 4.4 t -152.09 164.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.728 0.299 . . . . 0.0 110.787 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' N ' HG12 ' A' ' 39' ' ' VAL . 5.8 mm-40 -96.8 105.88 18.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 111.064 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.37 -134.62 4.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.187 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.814 ' O ' HG23 ' A' ' 54' ' ' VAL . 29.1 m -61.52 153.8 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.0 110.237 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -132.42 133.24 43.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.17 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.99 114.54 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.404 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -93.96 151.38 19.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.493 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.36 86.42 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.576 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.2 -20.31 40.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.292 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -32.61 9.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 0.0 111.585 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.77 29.18 0.12 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 4.3 mttp 55.73 81.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.055 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 4' ' ' LYS . 90.0 m -144.71 121.82 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.255 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -92.61 148.58 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.449 HG23 HG13 ' A' ' 6' ' ' ILE . 42.1 m -142.26 107.16 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 111.129 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.6 p -123.95 138.4 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.568 HG23 ' CG2' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -140.98 172.26 12.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.221 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.92 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.73 HG22 HD11 ' A' ' 17' ' ' ILE . 24.6 m -92.46 117.19 29.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.649 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.6 m-85 -103.6 132.07 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.692 ' HG3' HD12 ' A' ' 17' ' ' ILE . 11.0 ttmt -112.88 140.07 47.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 111.661 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . 43.1 tp -138.01 135.96 36.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.829 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.694 HG13 HG23 ' A' ' 53' ' ' THR . 14.4 pt -129.4 122.94 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.026 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.6 mp -113.41 133.98 54.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.961 0.41 . . . . 0.0 111.301 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.82 68.07 0.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.62 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.686 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -76.32 152.92 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 -179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.27 -42.04 39.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.574 ' HB3' HD12 ' A' ' 9' ' ' LEU . 4.9 tt0 -58.11 -36.71 73.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.91 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' GLN . . . 177.69 173.33 0.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -107.6 118.43 36.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -121.33 145.66 47.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.68 ' CB ' HG22 ' A' ' 6' ' ' ILE . 6.7 pt-20 -147.71 144.08 28.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.785 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.78 175.1 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.359 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.73 HD11 HG22 ' A' ' 2' ' ' THR . 0.5 OUTLIER -133.83 126.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.901 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -132.71 136.44 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.668 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 152.32 21.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -151.68 -172.95 4.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.784 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.57 -33.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -153.21 178.18 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.649 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -79.09 -48.69 13.89 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.74 -50.82 13.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.225 0.536 . . . . 0.0 109.814 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -68.69 -40.89 79.83 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.461 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HA ' HD22 ' A' ' 20' ' ' LEU . . . -52.08 -50.81 60.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -53.67 -34.35 58.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.542 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -67.28 -47.91 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 109.974 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -75.05 -62.97 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.134 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.633 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -47.52 -44.75 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.889 -179.248 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -66.37 -43.61 85.44 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.751 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -23.62 67.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.448 ' CD2' ' HG3' ' A' ' 37' ' ' LYS . 5.5 t80 -76.36 -53.77 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.652 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.026 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -64.39 -29.28 70.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -78.11 -47.47 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.302 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 -53.52 7.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.47 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HG3' ' CD2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -57.73 -70.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.448 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.758 ' OG1' HD22 ' A' ' 7' ' ' LEU . 13.6 p -104.85 -157.11 0.6 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.829 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 m -96.44 174.36 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 111.182 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -102.4 136.99 41.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -152.47 -145.39 4.13 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 54' ' ' VAL . 8.9 p -61.31 159.16 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 120.545 0.212 . . . . 0.0 110.447 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.492 ' N ' HG22 ' A' ' 42' ' ' VAL . 28.6 m95 -132.68 137.0 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.002 0.43 . . . . 0.0 111.57 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.83 153.54 41.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.188 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -129.75 148.01 51.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 111.393 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -117.19 123.71 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.481 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.06 25.96 3.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.453 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.61 -33.76 14.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.41 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.9 m -164.94 32.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.298 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 18.6 mttp 60.64 84.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.621 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.601 HG23 ' HB3' ' A' ' 4' ' ' LYS . 90.2 m -142.54 129.47 20.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.399 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' HB2' HD13 ' A' ' 5' ' ' LEU . 60.7 m-85 -96.13 154.37 17.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.454 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.694 HG23 HG13 ' A' ' 6' ' ' ILE . 3.1 m -143.7 108.96 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.375 . . . . 0.0 111.625 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 42' ' ' VAL . 2.8 p -127.88 133.95 66.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.239 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.583 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -139.5 155.27 47.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 0.0 111.319 -179.602 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.915 -179.755 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.894 0.378 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 2' ' ' THR . 15.2 t -92.47 119.67 32.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.608 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 2.5 m-85 -101.73 136.33 41.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.651 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -113.13 134.26 54.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 111.625 -179.415 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 47.5 tp -130.03 140.34 50.88 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.633 HG23 HG23 ' A' ' 53' ' ' THR . 3.9 tt -125.9 133.11 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.868 HD21 ' CB ' ' A' ' 34' ' ' ALA . 2.9 mp -127.19 133.97 50.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' CB ' ' HB ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -119.07 93.8 4.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.554 179.549 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.783 HD11 ' HB ' ' A' ' 38' ' ' THR . 14.9 mt -90.7 169.44 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -30.07 64.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.072 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -78.4 -56.15 4.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.776 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.02 163.07 40.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -92.21 124.3 36.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.682 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -110.95 133.78 53.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -147.82 132.95 18.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.741 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.92 171.25 20.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.878 0.371 . . . . 0.0 111.383 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.457 HD12 ' CB ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -126.51 133.8 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.856 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -131.3 137.14 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.958 -179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.796 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -84.17 142.87 30.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.992 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 19' ' ' GLU . 2.4 mm? -147.51 -177.08 5.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.777 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' H ' HG21 ' A' ' 25' ' ' THR . 20.7 t -92.82 -32.12 4.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.88 -164.77 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.301 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.608 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -84.22 -41.55 16.83 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.84 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.36 -48.89 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.213 0.53 . . . . 0.0 109.799 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.443 HG21 ' H ' ' A' ' 21' ' ' VAL . 5.2 t -69.72 -41.15 75.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.628 178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.55 -55.81 16.99 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HG2' ' CE2' ' A' ' 52' ' ' PHE . 18.5 mt-10 -49.74 -33.96 17.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.886 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -73.34 -46.06 51.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.177 0.513 . . . . 0.0 110.314 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -76.24 -58.43 3.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.09 -31.16 40.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.755 -179.168 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 44.2 tttt -77.68 -34.54 52.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -22.99 63.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.493 ' HE1' HD13 ' A' ' 7' ' ' LEU . 11.1 t80 -82.83 -53.31 5.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.868 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -65.78 -27.58 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.428 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -80.26 -39.89 28.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.34 -62.37 1.45 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.333 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.8 57.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.783 ' HB ' HD11 ' A' ' 9' ' ' LEU . 11.5 p -143.22 -155.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.053 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 40' ' ' GLU . 1.3 t -110.15 173.89 2.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.978 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.589 ' H ' HG12 ' A' ' 39' ' ' VAL . 5.3 tt0 -96.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 55' ' ' THR . . . -167.96 -141.45 3.19 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.776 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 20.4 t -77.07 110.51 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 CA-C-O 121.339 0.59 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -84.82 147.76 26.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.78 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.407 ' HB ' ' HB ' ' A' ' 53' ' ' THR . 48.2 m -156.47 139.58 15.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.223 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 56.3 t80 -119.83 153.73 35.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.074 0.464 . . . . 0.0 111.663 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.3 117.31 22.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.364 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.55 28.54 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.32 -28.73 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.471 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.13 28.16 0.21 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.997 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 54.18 77.22 0.2 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.967 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.608 HG23 ' HB3' ' A' ' 4' ' ' LYS . 59.5 m -140.12 122.51 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 111.702 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 29.8 m-85 -94.67 154.05 17.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.34 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.633 HG23 HG23 ' A' ' 6' ' ' ILE . 92.3 m -143.87 122.08 12.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.642 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -138.51 130.85 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.856 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.407 ' HB ' ' CB ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -132.17 132.0 42.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.029 -179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.669 ' HB3' HD23 ' A' ' 9' ' ' LEU . 1.4 tm-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 2' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.814 0.34 . . . . 0.0 111.243 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.687 HG22 HD11 ' A' ' 17' ' ' ILE . 89.3 m -69.54 119.44 13.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.773 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.668 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.0 m-85 -107.0 128.13 54.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.9 OUTLIER -108.81 136.59 48.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.366 -179.675 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 34' ' ' ALA . 63.6 tp -127.41 143.02 51.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.0 tt -130.58 126.33 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.088 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.036 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.2 mp -119.51 124.88 47.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -113.17 105.83 13.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.544 HD13 HE21 ' A' ' 11' ' ' GLN . 13.2 mt -87.7 -179.06 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -97.05 31.5 2.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.748 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.544 HE21 HD13 ' A' ' 9' ' ' LEU . 3.9 pt20 -153.59 -46.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.928 0.394 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.25 162.71 34.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -100.3 121.76 42.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -116.12 130.73 56.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.617 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -147.74 138.09 23.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.13 173.14 11.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.687 HD11 HG22 ' A' ' 2' ' ' THR . 0.4 OUTLIER -136.17 122.68 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.702 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -130.75 137.5 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 -179.534 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.821 ' C ' HD22 ' A' ' 20' ' ' LEU . 33.2 tt0 -95.27 133.4 39.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.812 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.821 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.4 mm? -136.82 -174.66 3.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.609 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 22' ' ' ASP . 14.7 p -99.16 -45.75 12.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.796 0.332 . . . . 0.0 111.467 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' N ' HG13 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -134.77 170.54 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.676 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.668 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -74.44 -43.92 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.186 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.6 -49.92 25.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.349 0.595 . . . . 0.0 109.898 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -70.46 -40.88 73.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.587 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 30' ' ' PHE . . . -52.55 -52.3 55.57 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 29.7 tt0 -52.84 -33.84 51.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.786 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -73.04 -48.48 35.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.257 0.551 . . . . 0.0 110.279 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 7.9 t80 -71.58 -58.86 3.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.913 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -53.5 -27.87 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.564 -179.078 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 4.1 tmtt? -76.58 -32.87 58.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 110.131 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -25.8 63.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.766 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CD2' ' HD3' ' A' ' 37' ' ' LYS . 6.1 t80 -80.45 -55.4 4.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.036 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -58.87 -29.44 66.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.329 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -82.24 -29.18 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.023 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -53.11 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.22 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HD3' ' CD2' ' A' ' 33' ' ' TYR . 12.8 mptt -58.5 -68.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.053 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.696 ' OG1' HD22 ' A' ' 7' ' ' LEU . 41.3 p -111.51 -157.43 0.62 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.488 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.506 HG12 ' H ' ' A' ' 40' ' ' GLU . 2.5 t -94.57 166.93 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-O 120.664 0.269 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' H ' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -96.94 119.45 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 111.01 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.69 -140.16 5.3 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.565 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.846 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.3 p -61.4 159.04 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 110.159 -0.312 . . . . 0.0 110.159 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.48 ' N ' HG22 ' A' ' 42' ' ' VAL . 30.9 m95 -133.98 138.78 45.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.028 0.442 . . . . 0.0 111.582 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.47 152.34 30.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.124 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -125.12 151.25 45.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.441 . . . . 0.0 111.326 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -120.92 117.01 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.427 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.54 28.31 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.6 -30.45 11.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.522 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.8 t -159.67 28.59 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.96 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mttt 56.26 79.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.568 HG23 ' HB3' ' A' ' 4' ' ' LYS . 89.4 m -145.14 129.7 17.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.315 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.48 151.37 19.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.706 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -133.89 117.11 16.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 111.12 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.9 p -138.57 138.36 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.527 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.467 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -141.44 128.05 20.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.878 0.371 . . . . 0.0 110.801 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.892 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.803 0.335 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.7 m -119.54 117.1 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.568 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.4 m-85 -106.87 127.33 53.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.706 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.737 ' CG ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -112.66 137.23 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.307 -179.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 34' ' ' ALA . 53.0 tp -131.71 136.45 47.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.633 HG22 ' CB ' ' A' ' 15' ' ' GLU . 14.4 pt -134.88 122.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.935 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.042 HD21 ' HB1' ' A' ' 34' ' ' ALA . 2.3 mp -113.01 134.07 54.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.2 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -122.54 125.4 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.896 HD11 ' HB ' ' A' ' 38' ' ' THR . 15.7 mt -119.42 -179.32 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -11.15 44.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.3 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.95 -33.18 6.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.115 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.36 145.21 6.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.272 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.15 123.54 48.1 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.781 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -122.82 153.25 39.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.633 ' CB ' HG22 ' A' ' 6' ' ' ILE . 1.9 pt-20 -145.26 157.5 44.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.8 171.07 20.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.737 HD12 ' CG ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -135.14 125.59 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.984 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 5.9 mmpt? -121.32 172.44 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.691 ' O ' HD22 ' A' ' 20' ' ' LEU . 6.6 pt-20 -125.42 131.49 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 25' ' ' THR . 0.3 OUTLIER -150.51 -165.55 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.905 179.746 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 22' ' ' ASP . 10.2 p -125.43 -45.38 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.276 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' N ' HG13 ' A' ' 21' ' ' VAL . 2.7 m-20 -122.69 140.36 52.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -59.9 -27.45 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.376 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.46 67.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.316 0.579 . . . . 0.0 109.557 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.772 HG21 HD11 ' A' ' 20' ' ' LEU . 2.5 m -71.61 -44.59 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.864 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.28 -51.81 56.39 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.8 tm-20 -51.04 -35.59 35.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.621 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -67.34 -49.25 64.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.17 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -73.2 -61.02 1.97 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.026 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.31 -47.2 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.781 -179.061 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -63.85 -39.89 95.27 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.513 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -61.21 -30.28 70.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.467 ' CE2' ' HD2' ' A' ' 37' ' ' LYS . 2.8 t80 -78.4 -49.84 12.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.339 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.042 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -67.71 -31.52 71.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.587 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -79.67 -28.19 40.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.318 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 -53.09 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 111.526 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HD2' ' CE2' ' A' ' 33' ' ' TYR . 2.2 mmtt -60.76 -67.55 0.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.294 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.896 ' HB ' HD11 ' A' ' 9' ' ' LEU . 16.2 p -109.47 -156.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.654 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 40' ' ' GLU . 19.8 t -103.72 159.45 4.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.691 0.281 . . . . 0.0 111.067 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 39' ' ' VAL . 3.2 mt-10 -99.31 113.92 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.54 -132.84 4.12 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.445 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 42' ' ' VAL . 31.3 m -70.09 113.27 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.435 0.636 . . . . 0.0 111.227 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -86.12 150.39 24.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER -156.4 113.69 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -94.87 150.47 20.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.032 0.444 . . . . 0.0 111.434 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.24 125.86 48.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.487 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.61 27.29 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -89.59 -35.88 15.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.126 0.488 . . . . 0.0 110.513 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.7 m -165.33 35.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.755 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 82.37 0.17 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.589 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 4' ' ' LYS . 85.8 m -138.74 137.51 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.979 0.419 . . . . 0.0 111.458 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -109.43 136.27 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.35 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' THR . 68.3 m -131.77 116.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 111.181 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 7.2 p -135.65 135.41 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.969 0.414 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.433 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -141.12 154.63 45.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 2' ' ' THR . 14.4 t -118.95 117.1 27.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.962 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.603 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 2.7 m-85 -106.28 130.47 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.683 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -111.5 137.86 48.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.644 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD11 HG12 ' A' ' 54' ' ' VAL . 29.4 tp -133.43 129.24 37.04 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.692 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.875 HG22 ' HB3' ' A' ' 15' ' ' GLU . 1.7 pt -123.55 117.5 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.123 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.1 mp -107.76 134.01 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.94 110.04 15.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.64 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.767 HD11 ' HB ' ' A' ' 38' ' ' THR . 98.6 mt -97.77 -178.93 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.197 0.522 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.27 46.03 1.15 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -166.05 -43.86 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.089 0.471 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.75 156.16 39.71 Favored 'General case' 0 C--O 1.227 -0.108 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.28 121.87 44.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.069 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -119.97 127.25 52.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.875 ' HB3' HG22 ' A' ' 6' ' ' ILE . 18.3 mt-10 -136.32 147.17 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.81 172.27 18.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.414 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.622 HD12 ' CB ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -132.58 128.82 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -130.38 137.92 50.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.743 ' O ' HD22 ' A' ' 20' ' ' LEU . 3.0 mp0 -84.6 145.99 27.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.156 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.743 HD22 ' O ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -149.41 -166.25 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.576 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 22' ' ' ASP . 25.7 m -111.13 -46.75 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 111.274 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -138.49 179.49 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.623 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.602 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -82.45 -41.39 19.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.191 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.85 -50.02 36.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.273 0.559 . . . . 0.0 109.801 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.411 HG22 ' CD1' ' A' ' 20' ' ' LEU . 1.7 m -70.66 -42.09 71.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.742 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -51.47 -53.3 38.67 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 3.3 mm-40 -51.6 -34.74 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.571 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.07 -47.72 64.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.102 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -75.16 -60.63 2.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.156 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -49.92 -39.7 40.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.858 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 33.8 tttt -69.23 -46.84 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.698 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.69 -25.43 64.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -77.79 -58.25 3.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.123 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -57.22 -21.6 34.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.736 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.85 -39.34 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.64 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.5 -22.38 19.6 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -84.69 -37.09 21.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.668 0.271 . . . . 0.0 111.363 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.767 ' HB ' HD11 ' A' ' 9' ' ' LEU . 81.4 p -140.57 -81.18 0.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.257 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.653 HG12 HD21 ' A' ' 9' ' ' LEU . 11.3 p -173.54 159.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.051 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -98.56 108.72 21.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.27 -138.68 4.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.83 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 54' ' ' VAL . 7.9 p -61.3 158.92 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.493 ' N ' HG22 ' A' ' 42' ' ' VAL . 64.0 m95 -135.61 146.18 47.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 0.0 111.556 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.3 113.56 3.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.263 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 70.3 t80 -94.18 150.01 20.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.01 0.434 . . . . 0.0 111.477 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -120.56 128.01 52.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.61 26.72 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.389 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -39.75 15.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.96 0.409 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.28 38.65 0.08 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mttp 60.77 78.86 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.758 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 4' ' ' LYS . 57.5 m -135.45 143.92 46.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.357 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 m-85 -115.09 153.88 29.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.747 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.759 HG23 ' CD1' ' A' ' 6' ' ' ILE . 26.9 m -143.71 111.6 6.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 42' ' ' VAL . 3.0 p -131.98 136.25 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.655 HG23 ' CG1' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -141.19 171.66 13.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.001 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.83 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.998 0.428 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.848 HG22 HD11 ' A' ' 17' ' ' ILE . 31.0 m -119.5 117.21 27.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.669 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.1 m-85 -107.14 134.74 49.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.593 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -109.38 141.78 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 111.492 -179.345 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 34' ' ' ALA . 37.7 tp -137.98 142.94 40.45 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.599 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 5' ' ' LEU . 6.3 tt -131.87 127.08 58.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.93 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.017 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.1 mp -120.75 126.56 50.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.214 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.49 95.48 5.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.76 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD11 ' HB ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -90.72 177.69 6.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -84.97 -27.03 26.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.263 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -79.08 -40.15 31.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.61 168.06 4.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.823 0.344 . . . . 0.0 111.393 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -94.51 121.62 36.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -123.58 121.27 35.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.938 0.399 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -147.7 133.23 18.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.79 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.848 HD11 HG22 ' A' ' 2' ' ' THR . 0.6 OUTLIER -128.47 139.42 51.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 3.8 mmpt? -122.13 173.27 7.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.685 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.789 ' C ' HD22 ' A' ' 20' ' ' LEU . 59.7 mt-10 -122.05 127.68 50.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.789 HD22 ' C ' ' A' ' 19' ' ' GLU . 3.2 mm? -144.07 -177.02 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.624 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.3 t -103.53 -34.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.419 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 8.5 p-10 -145.09 -175.75 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -85.23 -44.78 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.318 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -46.44 -51.38 15.23 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.318 0.58 . . . . 0.0 110.028 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -68.97 -40.61 78.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' PHE . . . -52.43 -52.74 52.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -51.53 -34.45 36.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.387 178.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -69.69 -50.11 47.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.259 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -71.43 -59.16 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.968 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -52.61 -43.38 65.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -179.07 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 21.6 tttt -63.59 -38.57 91.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.461 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.36 -24.2 66.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.122 179.442 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -82.31 -56.66 3.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.017 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -59.65 -29.72 68.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.49 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -83.86 -26.79 29.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.417 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.67 -54.74 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.583 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -57.89 -53.64 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.502 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.702 ' OG1' HD22 ' A' ' 7' ' ' LEU . 40.6 p -122.1 -89.27 0.6 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.536 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.531 HG12 HD11 ' A' ' 9' ' ' LEU . 13.4 p -178.28 160.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.662 0.268 . . . . 0.0 111.054 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' N ' HG22 ' A' ' 39' ' ' VAL . 27.9 mt-10 -96.99 130.95 44.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.81 -118.24 1.72 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.155 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.728 ' CG2' HG23 ' A' ' 55' ' ' THR . 30.2 m -83.66 103.77 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 121.314 0.578 . . . . 0.0 110.9 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -82.15 145.22 30.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.844 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 53' ' ' THR . 4.3 p -156.61 109.57 2.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 62.7 t80 -89.94 154.57 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 111.486 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.34 119.37 27.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.74 44.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.316 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.71 ' O ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -105.04 -30.07 10.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.565 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -172.55 39.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.338 -179.79 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 61.01 71.49 0.56 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.773 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 4' ' ' LYS . 47.6 m -131.68 144.28 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.124 0.487 . . . . 0.0 111.505 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.442 ' CZ ' ' HG2' ' A' ' 27' ' ' GLU . 26.4 m-85 -117.84 150.24 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.461 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' THR . 58.4 m -142.38 114.63 8.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.697 ' O ' ' HA ' ' A' ' 7' ' ' LEU . 12.7 p -138.56 139.71 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.728 HG23 ' CG2' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -141.32 167.55 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.763 0.316 . . . . 0.0 111.136 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.989 -179.978 . . . . . . . . 0 0 . 1 stop_ save_