data_2kxw_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 2kxw _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 ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.685 0.279 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.31 -57.22 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.555 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -63.62 -42.89 98.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.508 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -68.26 -35.18 77.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 89' ' ' PHE . 13.6 tp -70.51 -48.01 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.09 -40.7 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.81 -44.68 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.32 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.001 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' B' 1912 ' ' ILE . 0.2 OUTLIER -70.67 -36.41 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.29 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -52.95 -37.59 61.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.84 -28.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.087 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' B' 1905 ' ' GLU . 68.9 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.449 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -131.45 162.52 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.0 tt -140.39 145.42 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m -85.28 125.54 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.51 77.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.27 -53.11 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -78.12 -37.83 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.5 tp -58.01 -30.1 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.201 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -51.7 56.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.023 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -65.63 -39.56 91.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.8 t -58.4 -62.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.567 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -48.3 82.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.969 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.1 p -61.59 -39.94 92.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.734 0.302 . . . . 0.0 111.439 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.99 -17.01 62.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.694 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 pp -115.43 -177.57 3.17 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.476 0.655 . . . . 0.0 112.155 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.52 -134.95 35.89 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.666 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.9 42.27 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 61.4 63.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.934 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.49 119.83 3.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.657 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.7 p -55.56 145.25 23.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.761 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -69.44 -29.17 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.273 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -73.94 -47.91 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -59.81 -39.67 85.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.132 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.42 -32.52 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -30.98 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.455 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.5 -52.07 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.446 ' CE ' ' CZ ' ' B' 1916 ' ' TYR . 3.7 ptt? -56.87 -39.66 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.609 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.1 pt -74.02 -33.02 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.719 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -66.87 -41.04 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.9 -21.06 44.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.624 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' CB ' ' CG2' ' A' ' 136' ' ' ILE . . . -60.72 -51.54 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.242 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.403 ' CG2' ' CB ' ' A' ' 128' ' ' ALA . 30.8 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.868 0.366 . . . . 0.0 111.502 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.96 123.77 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.288 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.449 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 2.2 p90 -77.66 -0.97 28.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.61 -42.35 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.894 0.378 . . . . 0.0 110.582 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.13 -38.42 56.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.806 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.15 -49.33 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.954 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.25 -34.25 65.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 0.0 110.358 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.27 -53.49 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.8 ptm -70.13 -31.69 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 47.6 ttm -58.48 -32.45 68.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1905 ' ' GLU . . . . . 0.418 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 7.2 mt-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.722 0.296 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.19 -41.11 92.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.029 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 20.4 t -53.45 -57.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.424 . . . . 0.0 111.269 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 3.2 m -57.58 -27.11 62.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.578 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -70.67 -28.4 64.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 49.0 mt -72.46 -51.53 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 110.5 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.1 p -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.42 HD12 ' CE2' ' A' ' 89' ' ' PHE . 6.5 tt -59.08 -31.99 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.2 tt0 -63.7 -36.64 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.497 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -62.61 -35.65 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.88 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.67 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.446 ' CZ ' ' CE ' ' A' ' 124' ' ' MET . 19.5 m-85 -58.97 -39.34 81.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.672 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -59.2 -44.36 92.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.578 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -72.4 -33.04 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.451 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 34.6 t80 -60.49 -54.59 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.623 0.249 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.53 -55.78 15.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.645 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -67.94 -34.4 76.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.34 -49.81 21.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 111.315 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' A' ' 89' ' ' PHE . 59.4 tp -59.26 -50.32 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.204 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.97 -39.51 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.09 -45.36 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.703 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.66 92.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' B' 1912 ' ' ILE . 2.0 m-85 -72.15 -35.59 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -35.82 62.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.5 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.611 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.742 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.895 -0.082 . . . . 0.0 112.895 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.91 151.38 41.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.472 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.7 tt -138.43 129.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.388 . . . . 0.0 111.375 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.31 139.33 52.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.043 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.2 -34.48 70.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.23 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.332 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.99 -44.31 55.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.4 tp -55.22 -33.46 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.456 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -51.61 59.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.011 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.55 -63.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.717 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -48.13 83.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.955 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.1 p -61.09 -44.32 97.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.307 . . . . 0.0 111.368 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -67.29 -17.62 64.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.618 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 pp -115.09 -176.22 2.86 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.468 0.651 . . . . 0.0 112.211 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.85 -133.88 37.52 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.531 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -98.33 41.84 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 61.72 60.88 1.52 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.642 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.76 124.79 6.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.913 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.9 p -65.24 153.63 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.261 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.05 -30.28 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.009 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.34 -49.0 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.83 95.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.67 -32.25 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.005 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -72.36 -34.89 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -73.2 -38.46 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.706 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.09 -33.97 61.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.0 pt -74.6 -28.03 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.605 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.42 -29.05 59.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -82.38 -28.8 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.345 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 141' ' ' PHE . . . -66.33 -51.71 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 111.431 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.215 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.846 0.355 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.23 126.11 29.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.408 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.418 ' CE2' ' HA2' ' A' ' 98' ' ' GLY . 1.3 p90 -78.5 0.33 26.47 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -86.77 -40.59 14.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.124 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.79 -39.72 50.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.47 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.448 ' CZ ' ' CE ' ' A' ' 145' ' ' MET . 25.8 t80 -61.41 -48.61 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.092 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.3 p -67.51 -36.51 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 110.142 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -62.38 -53.49 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -32.94 69.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.364 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.448 ' CE ' ' CZ ' ' A' ' 141' ' ' PHE . 1.8 ttp -60.08 -52.96 63.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.727 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.715 0.293 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.92 -54.85 37.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 14.4 p -50.38 -46.87 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 111.507 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.7 m -59.51 -31.7 69.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.083 0.468 . . . . 0.0 110.171 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -74.5 -24.45 59.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.024 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.2 mm -67.39 -50.89 58.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.2 p -63.83 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -60.71 -34.85 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.442 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.414 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.1 OUTLIER -63.31 -39.3 94.18 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -61.41 -33.36 73.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.08 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.59 92.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.402 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.8 m-85 -57.1 -36.77 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.539 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -49.41 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.03 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -35.03 77.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 38.7 t80 -62.85 -60.9 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.209 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.468 -179.372 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.845 0.355 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.54 -57.77 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.117 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.97 -38.56 76.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.98 -50.03 17.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 111.538 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 89' ' ' PHE . 28.0 tp -59.28 -48.48 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.143 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.1 mt -58.87 -40.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.694 0.283 . . . . 0.0 110.61 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -46.33 68.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -52.22 66.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.453 ' CG ' ' CD1' ' B' 1912 ' ' ILE . 0.3 OUTLIER -60.59 -35.52 76.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.158 0.504 . . . . 0.0 110.35 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -41.82 62.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.753 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.51 -27.24 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.165 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.136 -179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.456 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.644 -0.182 . . . . 0.0 112.644 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 mp -118.43 152.83 35.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 tt -132.23 141.83 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.09 135.86 35.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.22 -41.1 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.31 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.507 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -77.11 -40.42 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.63 -40.21 75.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.289 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -60.11 -51.27 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.74 -44.74 92.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.046 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.3 t -59.25 -58.74 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.475 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.8 mmt -59.95 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.816 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.8 p -67.33 -30.02 69.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.19 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -79.89 -13.63 59.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.708 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.42 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.0 pp -120.18 -176.15 3.14 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.244 0.545 . . . . 0.0 111.825 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.47 -134.96 33.37 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.82 43.22 1.07 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt 62.15 61.64 1.3 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.619 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.13 131.81 12.54 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.02 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 p -70.23 149.9 46.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.231 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.76 -32.67 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.74 -47.5 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.713 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.06 -32.72 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.03 -52.31 65.78 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.04 -35.17 77.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.449 ' CE ' ' CZ ' ' B' 1916 ' ' TYR . 0.2 OUTLIER -64.86 -54.34 32.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.5 pt -67.22 -27.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.913 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.27 -39.37 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -22.83 25.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.592 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.59 -51.82 68.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.039 0.447 . . . . 0.0 110.158 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.655 0.264 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.97 107.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.291 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 1.7 p90 -57.8 -19.89 31.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.896 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.25 95.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.382 . . . . 0.0 110.728 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -71.94 -41.73 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.38 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 124' ' ' MET . 24.5 t80 -65.82 -48.39 71.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -67.86 -36.89 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.396 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.71 68.62 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -31.41 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.424 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 50.6 ttm -57.84 -32.47 67.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.354 -179.813 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.766 0.317 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.2 -56.56 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.8 m -46.32 -49.0 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 111.625 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 97.8 p -60.1 -32.22 70.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.252 0.549 . . . . 0.0 109.955 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.42 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -74.51 -23.73 58.88 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.955 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.83 -51.85 51.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.933 0.397 . . . . 0.0 110.122 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -61.71 -38.52 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.453 ' CD1' ' CG ' ' A' ' 89' ' ' PHE . 2.4 tt -61.98 -33.01 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.352 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.432 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.3 tt0 -63.18 -41.17 99.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.379 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -61.44 -32.95 72.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.08 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.38 96.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.447 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.449 ' CZ ' ' CE ' ' A' ' 124' ' ' MET . 9.7 m-85 -58.78 -39.11 80.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.364 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -44.63 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.472 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -31.49 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.9 t80 -58.73 -61.57 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.681 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.212 -179.568 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -57.22 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.331 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.32 -35.45 80.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.84 -49.91 22.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 111.324 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.68 -49.78 75.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.4 mt -58.48 -40.46 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -69.65 -43.18 73.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.719 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.12 91.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.033 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CZ ' HD11 ' B' 1912 ' ' ILE . 2.4 m-85 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.65 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -53.22 -36.36 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.484 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.5 -26.85 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.753 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.452 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.601 -0.199 . . . . 0.0 112.601 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.5 mt -116.09 152.09 34.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 111.04 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.4 tt -138.15 120.32 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.1 t -64.38 130.77 45.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.45 -31.76 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.357 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.27 60.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.97 -39.91 48.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.7 tp -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.518 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -63.06 -51.56 66.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -64.12 -42.34 96.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.7 t -54.67 -64.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 111.714 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -48.0 83.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.16 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.4 p -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -76.18 -19.83 58.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.551 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -117.76 -178.06 3.39 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.637 0.732 . . . . 0.0 112.478 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 68.74 -129.75 24.88 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.599 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.02 39.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 59.91 60.06 2.27 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.428 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.08 130.49 7.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.15 -178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -75.93 155.53 35.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.405 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -68.6 -30.83 69.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.71 -40.06 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.15 -52.93 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.21 -33.01 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.37 -52.61 64.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.81 -33.36 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.254 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.463 ' CG ' ' CZ ' ' A' ' 141' ' ' PHE . 1.0 OUTLIER -65.58 -54.19 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.258 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.8 pt -69.85 -26.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -74.14 -38.91 63.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.398 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.94 -4.51 32.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' HA ' ' CD1' ' A' ' 141' ' ' PHE . . . -70.44 -51.55 28.53 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.742 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.857 0.361 . . . . 0.0 111.19 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.819 0.342 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -84.76 129.43 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.049 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.452 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 1.1 p90 -79.77 1.88 25.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.94 -42.06 13.45 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -74.48 -36.18 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.979 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.463 ' CZ ' ' CG ' ' A' ' 124' ' ' MET . 16.6 t80 -66.88 -48.24 69.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.38 -33.7 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.006 0.431 . . . . 0.0 110.391 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -65.54 -53.29 44.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.41 ' HE2' ' CZ ' ' B' 1919 ' ' TYR . 0.2 OUTLIER -68.58 -31.2 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.922 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.434 ' CE ' ' CZ ' ' A' ' 141' ' ' PHE . 55.9 ttm -58.9 -46.02 88.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.114 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.951 0.405 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.33 -48.36 76.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t -55.73 -42.79 71.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 4.8 m -57.15 -34.25 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.77 -24.95 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.133 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.2 mt -64.15 -54.43 31.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.886 0.374 . . . . 0.0 110.358 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.0 p -62.09 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.425 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 1.2 tt -62.22 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -37.58 86.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -34.88 79.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.126 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.89 97.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.441 ' CZ ' ' CE ' ' A' ' 124' ' ' MET . 9.3 m-85 -59.34 -36.76 76.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.315 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -62.25 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.218 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.07 -32.13 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.401 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.4 t80 -58.14 -60.32 3.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.308 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1920 ' ' LEU . . . . . 0.412 HD13 ' CD2' ' B' 1919 ' ' TYR . 8.9 mp . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.731 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.692 0.282 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.78 -53.92 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.946 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -62.33 -51.54 67.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.89 -43.33 88.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.711 0.291 . . . . 0.0 111.66 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD1' ' CG1' ' B' 1912 ' ' ILE . 34.1 tp -59.57 -49.73 76.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.31 -36.54 69.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.79 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -73.18 -47.36 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.49 95.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.74 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CE1' HD12 ' B' 1912 ' ' ILE . 0.3 OUTLIER -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 110.199 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.81 61.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.668 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.6 t -62.22 -29.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.76 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.252 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.771 -0.132 . . . . 0.0 112.771 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 mp -113.21 144.02 43.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.967 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.1 tt -131.8 136.85 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 t -77.39 137.57 38.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.99 -51.27 26.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.621 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.41 74.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.908 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.82 -41.22 60.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.382 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.5 tp -57.8 -38.38 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.409 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -58.51 -51.16 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.322 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -64.41 -42.43 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.466 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.1 t -56.43 -63.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.962 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -42.78 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.0 p -64.97 -36.24 83.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.516 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -75.71 -16.51 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.673 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.3 pp -115.41 -176.56 2.94 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.306 0.574 . . . . 0.0 112.007 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.69 -134.99 35.43 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.222 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 42.96 1.08 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt 61.71 61.46 1.43 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.583 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.74 131.64 9.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.136 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.9 p -70.84 150.81 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.167 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.67 -29.9 68.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.92 -48.99 66.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.207 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.83 -42.5 93.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.95 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.6 p -75.52 -32.23 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.87 -34.67 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.66 -36.08 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.568 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.2 OUTLIER -75.46 -33.46 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.395 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.2 pt -73.59 -41.08 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -27.93 64.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.256 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.74 -14.41 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.34 -51.43 63.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.0 t0 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 0.0 110.626 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.782 0.325 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.46 131.18 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.311 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.438 ' CE2' ' CA ' ' A' ' 98' ' ' GLY . 1.5 p90 -86.49 10.37 15.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -39.11 13.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.036 0.446 . . . . 0.0 110.173 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -76.74 -42.19 42.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.435 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 54.8 t80 -62.18 -48.91 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.009 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.5 p -63.88 -35.98 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.65 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.09 -43.94 66.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.94 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.438 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.2 ptm -70.87 -31.9 68.72 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -27.22 49.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.553 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.234 179.851 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.872 0.367 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -61.82 -53.01 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.653 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -45.08 -57.4 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -57.05 -29.17 63.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.412 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -73.98 -28.15 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.987 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1910 ' ' ILE . . . . . 0.405 HD11 HG21 ' B' 1910 ' ' ILE . 41.2 mt -65.78 -52.05 54.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.323 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.65 -38.82 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.43 HD12 ' CE1' ' A' ' 89' ' ' PHE . 3.6 tt -62.9 -32.0 54.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 110.463 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.4 OUTLIER -63.52 -39.98 95.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -36.05 78.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.034 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.13 91.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 22.0 m-85 -60.11 -35.78 75.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.169 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -42.1 86.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.911 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -34.55 70.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.83 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 15.1 t80 -59.69 -54.19 49.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.321 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.743 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.626 0.251 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -56.78 -57.2 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.677 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.95 -40.57 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.642 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.74 -49.55 68.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.294 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.431 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.5 tm? -58.12 -51.93 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.518 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mt -56.15 -36.4 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 111.108 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.46 -44.81 61.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.703 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.4 96.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -71.2 -35.71 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.082 0.468 . . . . 0.0 110.697 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -53.82 -35.99 62.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.598 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.7 t -66.54 -26.41 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.132 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.739 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.628 -0.189 . . . . 0.0 112.628 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -125.0 151.24 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.683 0.277 . . . . 0.0 110.647 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.7 tt -135.15 140.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.291 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.19 135.11 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.05 -51.59 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.21 -38.08 60.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.3 tp -58.87 -31.26 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -67.16 -51.2 56.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -63.65 -40.2 96.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.435 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.1 t -59.61 -63.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.703 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -45.05 94.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.967 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 p -65.13 -38.02 89.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.209 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -73.75 -14.08 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.465 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.408 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.5 pp -118.88 -175.9 3.0 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.416 0.627 . . . . 0.0 112.184 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.87 -134.66 37.61 Favored Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.383 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.52 43.09 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.39 61.41 1.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.75 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.7 120.67 3.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.987 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.5 p -60.24 152.19 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.145 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -68.95 -30.75 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -67.42 -46.22 73.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.325 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.9 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.93 -32.5 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -29.58 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.57 -39.44 58.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -34.49 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 pt -74.53 -29.36 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 111.39 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.2 ttt85 -71.02 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.15 -5.92 29.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.002 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.98 -52.77 25.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.757 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.739 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.0 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.899 0.381 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -69.39 127.13 31.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.443 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 0.9 OUTLIER -80.25 2.21 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -88.4 -39.36 14.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -76.32 -38.83 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.7 -46.49 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.834 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.84 -33.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -62.69 -53.91 47.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -31.73 68.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.3 ttp -57.9 -34.11 69.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.211 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.8 0.334 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -58.01 -45.04 87.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.053 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t -51.29 -52.71 18.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.957 0.408 . . . . 0.0 111.371 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.5 m -55.7 -31.57 62.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.408 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -73.7 -27.32 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.46 -51.36 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.6 p -62.26 -38.27 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.403 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -62.19 -34.61 64.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.054 0.454 . . . . 0.0 110.042 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.426 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -63.06 -40.01 96.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 178.685 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.74 -32.76 73.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.157 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.78 96.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.217 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 18.7 m-85 -57.75 -38.84 76.09 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -60.81 -33.85 73.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.104 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -80.79 -31.42 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.37 -54.57 41.99 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.521 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.643 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.747 0.308 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.95 -49.85 76.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.549 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.54 -54.14 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.27 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -64.11 -45.19 89.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.43 HD22 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -58.94 -50.33 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.142 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.6 mt -59.02 -39.93 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.0 -44.63 68.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.02 0.438 . . . . 0.0 110.722 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.19 82.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CE2' HD22 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.5 -35.67 81.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.421 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.0 -39.54 63.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.795 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.5 -27.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.033 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.244 -179.852 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.96 162.86 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.581 0.229 . . . . 0.0 110.741 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.9 tt -147.64 136.15 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.1 136.99 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.26 -37.35 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.23 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.68 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.405 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -75.88 -37.12 59.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.5 tp -59.01 -34.55 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.046 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -63.84 -51.54 64.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -63.16 -43.21 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.58 -62.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.591 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -45.4 93.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.039 -179.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 79.8 p -64.36 -36.26 83.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 111.52 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -74.33 -17.36 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.481 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.0 pp -114.68 -176.17 2.84 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.288 0.566 . . . . 0.0 111.944 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.18 -136.8 37.57 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.43 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -97.72 44.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm 61.6 62.06 1.37 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.624 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.23 125.59 8.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.836 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 p -70.72 153.27 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -69.15 -28.55 66.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -42.14 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.1 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.4 p -74.71 -31.99 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.01 -34.63 75.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.0 -39.59 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -33.68 64.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.622 0.249 . . . . 0.0 111.618 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.7 pt -74.5 -28.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.728 0.299 . . . . 0.0 111.531 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -73.18 -30.41 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -90.31 -26.69 19.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.8 72.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.453 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 16.5 mt . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.813 0.339 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -70.76 124.75 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.413 ' CE2' ' HA2' ' A' ' 98' ' ' GLY . 1.5 p90 -77.45 -1.6 31.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.125 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.11 -38.88 16.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.718 0.294 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.9 -40.72 46.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.06 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.816 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.9 p -68.86 -33.45 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -54.14 49.73 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -31.57 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.102 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ttm -57.36 -31.71 66.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.326 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.38 -31.03 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 23.5 t -65.01 -59.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.3 m -57.37 -27.95 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.961 0.41 . . . . 0.0 110.966 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.412 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -79.24 -22.96 44.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.623 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1910 ' ' ILE . . . . . 0.421 HG23 ' N ' ' B' 1911 ' ' VAL . 0.2 OUTLIER -75.21 -36.33 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.404 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1911 ' ' VAL . . . . . 0.421 ' N ' HG23 ' B' 1910 ' ' ILE . 13.5 p -72.27 -37.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.921 0.391 . . . . 0.0 110.107 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.404 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -62.93 -34.29 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.836 179.257 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.427 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -64.09 -41.6 97.24 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.448 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -60.66 -33.21 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.955 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.47 97.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.427 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.7 m-85 -61.26 -35.73 78.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.253 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.55 -43.83 93.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.224 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -32.83 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.115 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -60.12 -54.46 45.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.44 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 CA--C 1.528 0.135 0 CA-C-O 120.474 0.178 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.05 -57.12 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 111.339 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.58 -43.34 80.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.576 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.22 -49.88 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.6 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.421 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -57.19 -50.52 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.62 -39.16 68.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.711 0.291 . . . . 0.0 111.139 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -45.71 61.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.494 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.16 78.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -66.12 -35.94 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -41.08 51.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.889 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.37 -26.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.89 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 . . . . . 0 C--N 1.333 -0.115 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.112 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 mt -109.3 150.82 27.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.2 tt -130.2 142.05 44.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.203 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.4 m -83.92 128.02 34.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.36 -31.69 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.431 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.58 56.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.214 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.48 -35.2 46.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.6 tp -56.09 -35.57 67.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.491 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -63.93 -51.4 64.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.421 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -64.12 -41.12 97.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.7 t -58.7 -62.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.75 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -48.1 83.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.066 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.1 p -61.63 -37.56 84.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 0.0 111.386 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -73.03 -17.52 61.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.404 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.2 pp -115.28 -176.53 2.93 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.463 0.649 . . . . 0.0 112.325 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.5 -134.81 38.77 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.542 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -98.2 43.19 1.07 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 61.44 62.44 1.34 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.5 116.58 1.33 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.857 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.6 p -55.73 150.0 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.619 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.51 -30.54 68.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -49.15 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -48.88 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.21 -31.53 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.25 -32.18 72.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.552 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -52.37 9.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.606 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -58.34 -35.65 72.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.151 -179.18 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 pt -74.15 -42.43 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 111.739 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -28.46 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.311 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -25.22 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.451 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.17 -50.78 71.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.656 0.265 . . . . 0.0 111.64 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.644 179.872 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.3 mt . . . . . 0 N--CA 1.459 0.019 0 CA-C-O 120.832 0.349 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -68.75 132.31 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.555 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 1.6 p90 -85.43 9.11 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.57 -40.76 12.41 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 120.962 0.411 . . . . 0.0 110.336 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.81 -39.34 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.536 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 46.2 t80 -65.72 -46.24 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.771 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.57 -31.27 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.403 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -53.64 46.28 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.422 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 5.9 ptm -69.26 -32.01 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.415 ' HG2' ' CG ' ' B' 1919 ' ' TYR . 1.9 mtm -59.55 -41.96 91.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.261 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.25 -49.76 73.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.456 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.8 t -46.01 -55.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.21 -31.08 65.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.463 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.404 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -73.18 -24.63 60.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.084 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.33 -51.55 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -59.5 -37.06 68.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.403 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 1.4 tt -62.26 -33.93 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.012 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -62.53 -40.88 98.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.778 178.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -60.03 -34.31 73.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.048 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -58.53 -34.4 70.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -41.78 93.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.886 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.67 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.128 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.422 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 8.5 t80 -58.24 -62.64 1.68 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.261 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 179.581 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.675 0.274 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.66 -57.55 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -59.53 -44.55 93.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.94 -50.26 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.918 0.39 . . . . 0.0 111.477 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 89' ' ' PHE . 29.3 tp -58.05 -49.44 76.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.4 mt -60.41 -39.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.706 0.288 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -51.29 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.17 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.073 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB3' ' CD2' ' A' ' 138' ' ' TYR . 0.1 OUTLIER -63.46 -36.21 83.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.151 0.501 . . . . 0.0 110.361 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -54.46 -39.14 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.604 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.75 -26.2 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.984 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.333 -0.145 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.589 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 CA--C 1.518 0.269 0 CA-C-O 120.455 -0.081 . . . . 0.0 113.093 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.3 mt -115.38 143.82 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.2 tt -136.06 141.46 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 111.338 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -84.39 140.24 31.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.02 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.92 79.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.97 -41.38 62.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.19 -34.69 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -51.49 66.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -63.95 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.554 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.51 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.959 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -47.96 83.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.219 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.1 p -60.38 -40.11 89.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.5 -16.89 62.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.617 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.409 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.5 pp -115.68 -177.91 3.26 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.579 0.704 . . . . 0.0 112.42 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.0 -131.59 33.61 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.391 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 40.33 1.24 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt 61.73 63.24 1.17 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.555 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.85 122.39 3.21 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.958 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -55.36 145.26 22.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.716 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.29 -29.67 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.172 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.48 -47.91 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.317 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.88 -42.88 94.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.215 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.28 -32.84 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.171 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.12 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.278 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -50.91 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.497 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.44 ' CE ' ' CZ ' ' B' 1916 ' ' TYR . 3.9 ptt? -60.39 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.652 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.01 -27.63 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.702 0.286 . . . . 0.0 111.565 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -74.92 -39.99 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.49 -4.91 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.04 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 141' ' ' PHE . . . -70.89 -50.69 32.3 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.739 0.304 . . . . 0.0 111.436 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.711 0.291 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -65.42 130.73 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 5.6 p90 -84.79 9.31 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.11 -38.99 13.93 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.966 0.413 . . . . 0.0 110.228 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -77.04 -38.33 53.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 29.7 t80 -66.7 -44.99 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.109 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.14 -36.77 76.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -50.46 71.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.761 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -69.43 -31.49 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.421 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 56.0 ttm -57.87 -37.73 74.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.17 179.711 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.821 0.343 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.28 -55.66 19.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 22.1 t -46.19 -54.15 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 111.558 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -57.1 -30.64 64.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -75.51 -20.26 58.84 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.129 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.95 -51.98 27.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.6 p -61.41 -44.73 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.785 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.421 ' CD1' ' CG ' ' A' ' 89' ' ' PHE . 5.0 tt -59.49 -30.83 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.478 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.439 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.7 tt0 -63.62 -40.92 98.12 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -61.21 -34.21 74.73 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.033 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.44 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.37 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.44 ' CZ ' ' CE ' ' A' ' 124' ' ' MET . 22.7 m-85 -61.63 -38.16 86.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.143 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -39.57 80.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.99 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -35.36 62.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.814 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.421 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 14.3 t80 -59.19 -61.95 2.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.358 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.194 179.54 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.528 0.204 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.29 -57.88 5.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.788 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.83 -30.61 67.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.877 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -75.51 -39.84 57.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.411 ' CD1' ' CG1' ' B' 1912 ' ' ILE . 41.5 tp -72.13 -47.61 49.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.314 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.1 mt -59.19 -40.82 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -47.46 66.23 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.029 0.442 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.41 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CG ' HD12 ' B' 1912 ' ' ILE . 0.5 OUTLIER -69.55 -35.83 75.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.481 . . . . 0.0 110.031 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -50.33 -38.73 43.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.593 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.92 -30.29 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.667 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 . . . . . 0 C--N 1.333 -0.12 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 CA--C 1.519 0.301 0 CA-C-O 120.484 -0.065 . . . . 0.0 113.007 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.1 mt -107.15 132.75 52.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.74 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 tt -123.2 136.6 59.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.175 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.42 141.7 29.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.19 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.487 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.44 -53.15 60.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.44 -42.85 58.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.3 tp -53.0 -39.91 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.692 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -61.6 -51.54 68.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -63.48 -48.13 78.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.489 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.36 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmt -60.0 -48.28 82.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.9 p -62.27 -38.89 91.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.594 0.235 . . . . 0.0 111.559 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -75.5 -14.22 60.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.409 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.5 pp -115.07 -177.03 3.03 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.319 0.581 . . . . 0.0 112.055 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.91 -132.62 40.24 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.203 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -99.5 40.97 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 61.87 63.73 1.09 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.521 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.81 122.73 3.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.123 0.487 . . . . 0.0 111.911 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -55.49 147.15 18.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.741 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.42 -30.19 68.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.66 -47.46 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.299 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.89 -42.68 94.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.122 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.1 p -66.99 -32.45 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -66.07 -31.28 72.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.333 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.19 -48.06 31.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.363 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 4.1 ptt? -61.68 -44.79 96.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.795 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 pt -66.79 -40.25 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.22 64.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.351 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -95.17 -4.71 45.53 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.22 -51.23 10.51 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.64 0.257 . . . . 0.0 111.551 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.733 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.68 0.276 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -69.57 120.21 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.299 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.422 ' CE2' ' HA2' ' A' ' 98' ' ' GLY . 1.5 p90 -71.12 -7.87 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.58 -43.41 80.66 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.904 0.383 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.95 -36.17 59.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.427 ' CE2' ' CE ' ' A' ' 145' ' ' MET . 49.3 t80 -66.59 -49.48 66.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.002 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.7 p -68.39 -36.21 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -64.88 -53.49 45.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.416 ' HE2' ' CE1' ' B' 1919 ' ' TYR . 0.0 OUTLIER -68.8 -31.81 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.23 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.427 ' CE ' ' CE2' ' A' ' 141' ' ' PHE . 34.0 ttm -61.26 -45.87 92.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.695 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.717 0.294 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.4 -52.72 58.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.647 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 15.4 m -50.01 -48.03 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.788 0.328 . . . . 0.0 111.536 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 24.1 p -57.84 -32.55 67.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.155 0.502 . . . . 0.0 110.019 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -75.8 -27.33 57.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.934 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.8 mt -61.04 -51.34 74.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 110.204 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -64.03 -39.19 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.452 HD12 ' CG ' ' A' ' 89' ' ' PHE . 1.2 tt -61.05 -32.84 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.341 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -65.11 -40.83 95.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.496 178.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.8 72.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.024 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.61 93.93 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.341 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 16.6 m-85 -58.38 -34.27 70.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.482 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.223 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -73.1 -31.37 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.351 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 9.9 t80 -56.96 -61.8 2.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.751 0.31 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.74 -57.23 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.642 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.95 -44.51 74.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.6 -44.2 57.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.756 0.312 . . . . 0.0 111.32 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.415 HD11 ' CE2' ' A' ' 89' ' ' PHE . 15.5 tp -61.29 -46.19 91.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.009 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mt -61.98 -40.26 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.28 -41.12 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.786 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.54 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.415 ' CE2' HD11 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.22 -35.8 82.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.503 179.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -38.21 56.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.597 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.52 -26.25 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.921 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 C--N 1.334 -0.109 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.393 -179.772 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.4 mp -115.42 152.24 33.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 tt -140.2 125.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 139.14 55.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.193 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.7 71.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.4 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.28 -53.26 58.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -76.47 -38.78 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.24 -38.46 68.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.324 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -60.65 -51.65 68.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.186 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' CD2' ' ND2' ' A' ' 111' ' ' ASN . 11.4 t60 -63.7 -45.11 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.57 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.28 -63.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -43.96 95.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.405 ' HA ' ' HB3' ' A' ' 116' ' ' LEU . 77.2 p -63.95 -53.97 41.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.608 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.447 ' ND2' ' CD2' ' A' ' 107' ' ' HIS . 9.2 m-80 -60.57 -17.93 49.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.689 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 113' ' ' GLY . 3.9 pp -110.73 -175.6 2.76 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.604 0.716 . . . . 0.0 112.351 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.403 ' N ' ' CD1' ' A' ' 112' ' ' LEU . . . 62.24 -136.81 45.41 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.582 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -96.81 43.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? 61.45 62.74 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.69 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 110' ' ' THR . 0.6 OUTLIER -46.8 128.59 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.827 -179.012 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -63.61 146.57 53.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.586 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.36 -29.18 66.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -70.88 -47.66 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.83 -41.03 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.54 -32.63 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.107 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.82 -28.8 67.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.35 -47.46 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 111.419 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 4.1 ptt? -61.14 -45.26 95.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.709 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.7 pt -66.53 -39.84 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.978 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.361 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -92.4 -4.88 53.09 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 141' ' ' PHE . . . -78.67 -52.7 8.04 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.704 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.026 0.441 . . . . 0.0 110.547 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.409 ' CG2' ' CB ' ' A' ' 128' ' ' ALA . 25.5 mt . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.843 0.354 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -73.71 128.68 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.429 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 1.8 p90 -80.53 1.96 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -87.21 -44.62 11.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.923 0.392 . . . . 0.0 110.491 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.29 -35.59 58.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.612 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.458 ' CE2' ' CE ' ' A' ' 145' ' ' MET . 60.5 t80 -64.15 -49.29 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.814 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -68.28 -32.91 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 0.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -67.32 -53.28 31.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.98 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.35 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.458 ' CE ' ' CE2' ' A' ' 141' ' ' PHE . 15.5 ttm -63.15 -34.13 76.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.652 -179.695 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.845 0.355 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -53.74 -58.95 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.91 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 10.9 m -44.61 -50.04 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 56.8 p -59.51 -34.78 73.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.204 0.525 . . . . 0.0 109.789 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -72.24 -26.7 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.803 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.4 mt -62.85 -51.88 66.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.5 p -62.18 -36.01 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.636 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.401 ' CG1' ' CD1' ' A' ' 85' ' ' LEU . 2.0 tt -65.16 -33.39 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.448 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.0 OUTLIER -62.92 -36.3 82.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.487 178.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.33 80.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.801 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.79 94.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.723 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.7 m-85 -59.82 -37.86 80.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -59.39 -45.68 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.572 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -31.63 67.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.439 ' CD1' ' CG ' ' A' ' 145' ' ' MET . 15.1 t80 -58.5 -51.64 69.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.535 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.929 -179.847 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.86 -53.6 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.889 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.71 -46.43 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.842 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.5 -50.42 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.708 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -54.57 -51.22 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.52 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.6 mt -56.96 -40.73 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.84 84.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -64.87 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.71 -40.3 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.698 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.2 t -63.25 -27.7 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.015 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.038 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.452 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.39 162.87 32.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.695 0.283 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.2 tt -144.92 146.94 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 t -88.28 134.88 33.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.32 66.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.514 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.63 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.356 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.77 -40.03 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.32 -40.29 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.537 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -62.17 -51.46 67.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.121 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -64.26 -44.82 90.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.73 -60.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 0.0 111.767 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.91 -48.26 82.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.297 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.8 p -65.03 -45.26 86.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 111.654 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.03 -18.31 65.19 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.74 178.42 4.41 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 121.626 0.727 . . . . 0.0 112.593 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.16 -130.25 16.08 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -100.39 38.65 1.46 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 62.14 62.83 1.15 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.409 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.19 121.86 3.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.937 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -54.06 144.25 19.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.798 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.1 -47.79 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.201 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.73 -39.92 86.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.004 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 p -71.61 -32.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -65.73 -33.64 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.327 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.69 -51.98 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 4.0 ptt? -55.08 -39.11 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.688 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.0 pt -74.02 -32.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.899 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.35 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -28.39 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.411 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -58.7 -51.56 69.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.551 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.458 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.73 0.3 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.03 126.6 30.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.44 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 1.5 p90 -80.33 2.55 24.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 -39.35 15.42 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.925 0.393 . . . . 0.0 110.339 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.58 -41.19 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.268 0.556 . . . . 0.0 109.54 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 32.8 t80 -61.09 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.124 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.4 p -68.25 -34.23 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -62.11 -54.91 34.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.369 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 2.2 ptm -66.67 -31.96 72.97 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.214 0.321 . . . . 0.0 111.1 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.9 ttm -58.2 -31.91 67.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.953 0.406 . . . . 0.0 110.727 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.843 179.57 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.859 0.361 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.6 -50.67 69.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.6 m -53.92 -41.39 48.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.798 0.333 . . . . 0.0 111.433 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 16.0 m -57.95 -35.31 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.017 0.437 . . . . 0.0 110.308 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.26 -24.05 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.916 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.92 -56.91 14.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.245 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.8 p -60.7 -45.0 98.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.638 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.415 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -57.39 -32.05 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.235 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.419 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.6 tt0 -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.734 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -61.76 -33.41 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.313 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.68 99.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.57 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.1 m-85 -59.84 -39.32 84.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.493 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -57.59 -43.8 84.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -72.17 -32.78 67.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.263 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 12.7 t80 -60.4 -56.64 18.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.279 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.61 -57.24 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.09 -43.89 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.391 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.8 -49.91 59.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.281 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD23 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -56.09 -50.68 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.4 mt -58.02 -34.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.19 -45.8 54.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.443 . . . . 0.0 110.594 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.088 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE2' HD23 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -68.44 -35.88 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 0.0 110.65 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.65 -36.94 57.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.568 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.35 -27.79 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.029 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.659 -0.177 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 mt -119.6 148.09 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.7 tt -132.25 132.92 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -74.1 133.16 42.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.6 71.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.351 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.93 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.429 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -77.96 -38.73 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.4 tp -55.1 -39.37 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -51.35 69.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.306 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.17 -42.67 99.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.593 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.2 t -56.55 -63.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.975 0.417 . . . . 0.0 111.877 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -48.27 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.148 -178.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -63.12 -30.89 71.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 111.523 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.78 -18.87 55.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.551 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.404 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 1.4 pp -119.55 -177.96 3.5 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.607 0.718 . . . . 0.0 112.49 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.95 -129.33 21.1 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.38 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.58 38.1 1.58 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt 61.7 62.44 1.29 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.376 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.0 115.57 0.92 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.115 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.4 p -56.31 151.26 13.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.528 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -31.16 69.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.77 -49.4 70.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.73 -49.83 74.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.33 -31.9 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -69.36 -31.18 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.555 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.72 -52.37 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 111.709 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -37.43 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.958 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 13.9 pt -74.27 -44.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -42.41 99.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.191 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -19.42 54.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.798 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -62.13 -52.0 65.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.612 0.244 . . . . 0.0 111.608 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 120.782 0.325 . . . . 0.0 110.505 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 23.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.807 0.337 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -74.99 128.1 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.74 0.89 28.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.08 -42.1 12.61 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 120.992 0.425 . . . . 0.0 110.31 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.37 -36.96 57.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.535 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 51.0 t80 -64.67 -48.08 76.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.773 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.65 -33.49 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -74.05 -39.82 63.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.763 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -31.71 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.421 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -79.06 -31.56 44.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.618 0.247 . . . . 0.0 111.101 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.78 179.625 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.885 0.374 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.98 -57.03 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 11.2 p -53.78 -40.21 42.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.369 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 3.0 m -58.36 -36.36 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.404 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -74.33 -26.73 60.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.9 mt -62.52 -55.16 25.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.2 p -59.98 -39.11 79.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.405 HD11 ' CE1' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -60.91 -32.74 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.187 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -63.04 -42.98 99.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.55 178.699 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -32.89 70.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.365 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.54 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.507 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.4 m-85 -57.77 -38.33 75.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -58.0 -46.86 84.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.562 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.37 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 145' ' ' MET . 2.3 t80 -61.44 -58.36 8.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.497 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.799 0.333 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.79 -57.56 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.666 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -61.56 -35.63 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.665 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.49 -49.36 19.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 0.0 111.358 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 89' ' ' PHE . 22.7 tp -60.36 -41.64 94.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.96 -37.21 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.604 0.24 . . . . 0.0 110.987 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.86 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -53.09 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.726 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -62.81 -35.18 79.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.184 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -38.29 37.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.11 -22.01 22.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.635 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.193 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.687 -0.165 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.1 mp -122.24 147.01 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 tt -124.51 150.0 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.9 t -88.44 134.12 33.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.989 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.91 80.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.291 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.62 72.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.39 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -76.4 -38.1 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.2 tp -59.43 -29.29 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -67.93 -51.61 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.264 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.14 -45.78 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.46 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.95 -61.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.5 mmt -61.53 -48.36 81.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.229 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.2 p -64.07 -34.2 77.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.706 0.288 . . . . 0.0 111.357 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -76.06 -16.82 59.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.611 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.407 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.5 pp -115.79 -176.75 3.0 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.262 0.553 . . . . 0.0 111.961 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.39 -133.23 35.83 Favored Glycine 0 C--N 1.335 0.51 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.28 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -99.36 41.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm 61.89 63.72 1.09 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.618 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.53 116.83 1.4 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.042 0.448 . . . . 0.0 111.987 -178.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -59.4 137.68 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.87 -27.19 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.342 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.01 -48.03 69.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.14 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.34 -34.23 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.244 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.31 -32.52 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.04 -30.74 65.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.18 -40.55 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -70.9 -33.99 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.69 -179.242 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 pt -74.34 -37.27 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -28.46 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.22 -21.72 20.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.68 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.28 70.26 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 24.6 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.95 128.6 37.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -85.05 7.79 20.2 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -89.44 -39.22 13.52 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.024 0.44 . . . . 0.0 110.16 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.48 -37.75 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.466 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 42.2 t80 -65.51 -48.09 73.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.766 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.99 -34.25 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.556 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -44.68 59.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.775 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -31.67 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -28.1 44.63 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.41 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.664 0.268 . . . . 0.0 111.519 179.816 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.742 0.306 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.97 -46.91 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -51.08 -51.41 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 111.253 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.44 -29.62 66.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.407 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -74.08 -24.08 59.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.019 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.45 -52.01 32.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.549 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.57 -42.04 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.804 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.5 tt -60.96 -32.35 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.152 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.425 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.2 tt0 -62.91 -37.86 88.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.596 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -62.98 -35.28 79.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.973 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.93 97.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.533 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.9 m-85 -59.9 -40.58 89.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -60.61 -43.41 97.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -69.73 -32.69 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.252 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.4 -60.74 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.643 0.258 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -57.31 4.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -70.35 -31.01 68.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.94 -46.33 36.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 111.49 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.409 ' CD1' ' CG1' ' B' 1912 ' ' ILE . 47.1 tp -64.97 -48.87 72.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.323 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.7 mt -59.61 -40.15 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.626 0.25 . . . . 0.0 111.023 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -70.9 -44.23 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 110.742 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.69 95.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CZ ' HD12 ' B' 1912 ' ' ILE . 1.0 OUTLIER -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.622 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -52.61 -37.62 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.573 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.3 -26.46 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.004 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.652 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.834 -0.106 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.7 mp -109.79 150.3 28.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.313 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 tt -141.47 133.67 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 t -80.69 133.3 35.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.89 -32.89 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.24 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -53.03 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -77.55 -41.86 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.788 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.2 tp -53.13 -29.74 32.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.48 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -68.18 -51.78 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -65.73 -38.23 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.68 -64.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -48.23 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.114 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.6 p -60.95 -43.56 98.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 111.477 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.23 -18.19 64.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.637 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.401 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.5 pp -113.5 -177.52 3.15 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.545 0.688 . . . . 0.0 112.174 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.9 -136.03 35.39 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.364 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -98.06 43.18 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 61.68 63.66 1.13 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.76 118.08 1.7 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.009 0.433 . . . . 0.0 111.901 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -57.1 149.56 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.579 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.52 -26.46 64.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.365 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.91 -39.63 69.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.718 0.294 . . . . 0.0 111.351 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -72.38 -40.84 66.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.362 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.8 p -67.23 -32.44 57.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.16 -42.67 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -44.31 96.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.41 ' HE1' ' CZ ' ' B' 1916 ' ' TYR . 4.1 ptt? -68.44 -46.34 70.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.4 pt -63.76 -35.23 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -35.05 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.048 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.58 -4.68 59.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.089 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.41 ' CB ' ' CG2' ' A' ' 136' ' ' ILE . . . -79.31 -51.5 9.35 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.746 0.308 . . . . 0.0 111.007 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.41 ' CG2' ' CB ' ' A' ' 128' ' ' ALA . 14.9 mt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.839 0.352 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.28 129.68 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.984 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.446 ' CE2' ' CA ' ' A' ' 98' ' ' GLY . 2.2 p90 -83.86 7.39 18.22 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -89.29 -42.67 11.46 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.087 0.47 . . . . 0.0 110.447 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -76.96 -36.77 56.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.416 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.878 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.59 -33.77 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -72.67 -44.21 62.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.751 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -32.02 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -76.46 -31.01 57.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.651 0.262 . . . . 0.0 111.578 -179.309 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.118 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.673 0.273 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -31.28 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 42.8 t -61.19 -63.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.999 0.428 . . . . 0.0 110.253 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.14 -24.51 54.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.401 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -81.75 -23.2 36.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.554 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1910 ' ' ILE . . . . . 0.409 HG23 ' N ' ' B' 1911 ' ' VAL . 0.2 OUTLIER -74.41 -36.78 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.459 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B 1911 ' ' VAL . . . . . 0.409 ' N ' HG23 ' B' 1910 ' ' ILE . 9.3 p -73.52 -41.59 56.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.421 HD12 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 tt -60.68 -30.94 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.445 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 2.5 tt0 -66.61 -43.34 85.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -32.72 71.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.025 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.25 99.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.52 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.3 m-85 -60.15 -34.92 74.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.078 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -39.95 93.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.949 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -74.57 -35.72 63.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.195 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 145' ' ' MET . 3.7 t80 -60.37 -51.24 70.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.177 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 120.727 0.298 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -54.31 -57.19 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.852 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.01 -46.4 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 111.552 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -60.78 -49.97 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.421 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -55.83 -54.04 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.417 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mt -54.04 -38.62 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.203 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -71.4 -45.42 62.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.974 0.416 . . . . 0.0 110.667 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.9 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.24 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.01 -35.99 82.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -54.15 -37.44 64.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.6 t -59.02 -28.61 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.153 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.43 -179.637 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.623 -0.191 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 mp -123.48 158.6 30.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.0 tt -138.7 142.64 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 135.92 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.93 -42.75 72.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -52.82 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.85 -38.42 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.5 tp -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -61.19 -51.76 67.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -60.49 -42.17 95.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.693 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.1 t -58.92 -65.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.913 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -41.77 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.4 p -67.48 -29.87 69.42 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.187 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.33 -16.49 52.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.622 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 pp -116.31 -176.46 2.96 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 0.0 111.844 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.77 -135.44 32.84 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.88 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -99.99 43.02 1.08 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt 62.12 64.17 1.01 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.469 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.2 130.55 10.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.875 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.04 151.32 47.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.341 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -29.64 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.987 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -47.96 66.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.6 p -80.67 -32.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -72.48 -32.2 66.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -35.9 42.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.428 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -33.67 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.506 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 pt -74.67 -36.97 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.355 . . . . 0.0 111.346 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -32.42 72.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.734 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.54 -12.49 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.716 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB3' ' CD1' ' A' ' 141' ' ' PHE . . . -71.93 -52.32 17.8 Favored 'General case' 0 C--N 1.334 -0.081 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.499 179.83 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.78 0.324 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -69.07 121.76 17.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.492 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -72.57 -6.62 45.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -81.04 -43.09 20.08 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.466 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -74.24 -38.26 63.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 109.85 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 128' ' ' ALA . 36.3 t80 -60.52 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.994 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.08 -36.1 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -57.96 -53.49 57.64 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -32.65 65.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.407 ' CG ' ' CD1' ' B' 1919 ' ' TYR . 5.8 ttm -57.94 -29.42 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.906 0.384 . . . . 0.0 111.415 -179.63 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.719 0.295 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -56.51 -44.51 80.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.2 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.4 t -48.85 -53.02 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.169 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -28.63 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.189 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.3 -29.88 63.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.129 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.91 -53.25 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.736 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.2 p -57.26 -42.15 79.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.414 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -59.75 -33.28 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.088 0.47 . . . . 0.0 110.377 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.406 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.5 OUTLIER -63.56 -39.01 93.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.736 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.329 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.12 96.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.482 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.6 m-85 -58.11 -53.65 55.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.172 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -56.9 -34.58 68.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -33.57 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.804 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.407 ' CD1' ' CG ' ' A' ' 145' ' ' MET . 22.4 t80 -65.35 -47.38 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.371 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.735 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.759 0.314 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -57.06 -57.17 13.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.539 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.64 -43.61 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.684 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.87 -49.56 65.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.636 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.422 HD22 ' CE2' ' A' ' 89' ' ' PHE . 2.6 tm? -56.49 -51.34 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.397 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.7 mt -54.85 -41.38 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.338 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -73.28 -43.78 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.939 0.399 . . . . 0.0 110.818 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.8 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.236 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.422 ' CE2' HD22 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -70.23 -35.37 73.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 110.66 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -42.3 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 t -60.61 -30.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.851 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.897 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.436 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 mp -121.06 165.81 14.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 111.633 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.46 156.81 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -92.31 139.68 30.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.89 -47.44 59.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -48.46 81.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.27 -41.44 73.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.21 -39.52 86.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -58.82 -51.3 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.259 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -62.41 -49.22 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.6 t -55.47 -58.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.952 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mmt -60.35 -47.98 83.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.167 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -65.2 -38.1 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 111.593 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.84 -15.69 61.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.405 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.3 pp -117.26 -176.18 2.95 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.351 0.596 . . . . 0.0 112.231 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.33 -132.08 35.65 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.408 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.32 40.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.41 61.93 1.2 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.525 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.92 119.53 2.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.972 -179.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.1 p -56.88 150.27 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.486 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.38 -30.26 68.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -70.03 -49.1 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.346 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.92 -44.66 94.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.59 -33.01 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.92 -34.05 77.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.274 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -71.07 -51.41 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.192 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.2 ptm -58.91 -45.59 89.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.836 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.3 pt -66.14 -29.83 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -40.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.68 -4.87 58.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.089 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.422 ' HA ' ' CD1' ' A' ' 141' ' ' PHE . . . -78.5 -51.33 10.14 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.479 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.809 0.337 . . . . 0.0 111.669 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -78.04 122.07 25.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.276 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.436 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 0.8 OUTLIER -75.05 -3.86 35.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.38 -38.99 15.68 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.9 0.381 . . . . 0.0 110.353 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.56 -36.95 57.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.756 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 12.6 t80 -65.6 -49.01 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.893 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.66 -33.04 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.685 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.51 -54.04 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -31.29 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.793 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.403 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 9.6 ttm -61.56 -40.53 95.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.533 -179.644 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.95 -43.79 77.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 23.1 t -52.88 -50.74 42.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.263 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.7 m -57.26 -30.55 64.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.49 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.405 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -72.97 -27.36 61.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.98 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 22.1 mt -66.6 -53.27 37.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.737 0.304 . . . . 0.0 110.687 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -58.58 -39.62 76.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.816 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.422 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -60.68 -34.68 59.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.368 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.43 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -62.54 -39.63 94.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.705 178.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -61.12 -33.36 73.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.148 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.93 87.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 11.1 m-85 -58.19 -35.32 71.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -59.87 -46.93 87.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.493 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.48 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.469 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.403 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 24.2 t80 -58.59 -62.81 1.58 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.885 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.632 0.253 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.57 -57.31 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.15 -45.94 62.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.542 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.407 HD12 ' CE2' ' A' ' 89' ' ' PHE . 20.9 tp -60.13 -48.51 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.5 mt -60.54 -39.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 110.8 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.42 73.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.428 ' CZ ' HD12 ' B' 1912 ' ' ILE . 0.6 OUTLIER -64.23 -35.91 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.201 0.524 . . . . 0.0 110.472 179.528 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -38.72 58.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.735 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.9 t -59.2 -31.17 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.789 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.693 -0.163 . . . . 0.0 112.693 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mp -117.65 166.63 12.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.978 0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 tt -144.18 150.03 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.83 135.21 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.85 -33.31 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.261 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.3 59.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -38.47 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.88 -33.14 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -50.55 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -65.0 -43.4 92.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.29 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.5 t -58.79 -59.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.632 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmt -60.78 -48.35 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.075 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.2 p -62.77 -47.93 81.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -63.13 -17.85 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.807 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp -117.55 -175.62 2.85 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.456 0.646 . . . . 0.0 112.285 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.7 -134.09 32.49 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.278 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -99.1 41.96 1.12 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm 61.83 62.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.624 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.33 117.94 1.97 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.822 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -56.84 152.66 12.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.516 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.53 -28.98 66.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.304 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.34 -47.97 45.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.27 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.12 -41.88 93.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.222 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.25 -32.8 57.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -40.07 79.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.605 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.29 -52.11 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.456 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.419 ' HE3' ' CE2' ' B' 1916 ' ' TYR . 4.4 ptt? -60.16 -50.51 73.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.88 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.8 pt -58.77 -27.48 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 0.0 111.62 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -42.83 62.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.04 -4.77 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.859 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 141' ' ' PHE . . . -70.11 -52.01 27.11 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.982 0.42 . . . . 0.0 110.332 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 23.6 mt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.839 0.352 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -79.67 125.38 29.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -76.71 -0.99 25.68 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -87.17 -40.7 14.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.257 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.43 -36.27 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 8.9 t80 -65.3 -48.15 74.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.904 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.3 p -67.95 -36.21 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -59.16 -53.07 62.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -31.83 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.625 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.428 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 1.7 ttp -58.39 -39.26 79.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 111.201 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.385 -179.733 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.711 0.291 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -37.65 77.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.27 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 37.5 t -58.77 -60.86 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -55.01 -24.46 24.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -78.54 -27.91 46.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.66 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1910 ' ' ILE . . . . . 0.419 HG21 ' N ' ' B' 1911 ' ' VAL . 0.1 OUTLIER -74.67 -34.98 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.784 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1911 ' ' VAL . . . . . 0.419 ' N ' HG21 ' B' 1910 ' ' ILE . 8.3 p -70.66 -38.75 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.428 HD12 ' CZ ' ' A' ' 89' ' ' PHE . 3.0 tt -63.23 -32.85 57.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.837 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.439 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 5.6 tt0 -62.7 -40.03 95.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.464 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -60.68 -33.75 73.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.041 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.11 -48.3 82.11 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.472 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.439 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.1 m-85 -56.14 -39.27 72.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.699 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -59.4 -39.32 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.203 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -73.06 -34.09 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.428 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 20.3 t80 -58.94 -59.78 4.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.675 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -57.3 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.459 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.91 -47.93 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.699 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.4 -48.08 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.464 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.5 tm? -57.51 -49.7 75.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.8 mt -58.39 -40.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.697 0.284 . . . . 0.0 111.162 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -69.91 -47.39 62.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.042 0.448 . . . . 0.0 110.6 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -51.73 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -62.68 -35.83 80.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.326 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -50.89 -42.66 59.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.713 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.2 t -60.61 -26.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.022 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 CA--C 1.528 0.108 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.22 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.707 -0.157 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -123.89 165.28 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 89' ' ' PHE . 4.7 tt -144.57 143.23 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.115 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.27 136.95 33.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.08 -35.13 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.282 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.47 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.238 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.13 -36.18 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.28 -37.76 75.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.231 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -51.3 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -63.16 -45.32 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.335 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.6 t -56.79 -61.5 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.899 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.5 mmt -59.91 -48.26 82.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.4 p -64.39 -40.2 95.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 111.384 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.09 -13.81 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.917 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.402 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.3 pp -117.09 -175.63 2.83 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.398 0.618 . . . . 0.0 112.154 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.47 -134.89 41.96 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.239 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -98.68 43.33 1.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 61.65 61.27 1.48 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.639 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.59 125.37 6.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.016 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 p -61.18 151.93 30.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.399 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -68.97 -31.01 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.946 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -47.42 69.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.87 -39.61 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.36 -32.59 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -72.26 -30.09 64.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -79.64 -36.05 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.631 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.2 OUTLIER -75.29 -33.69 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.688 -179.303 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.6 pt -74.58 -42.99 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.508 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.995 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.68 -25.17 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.315 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HB3' ' CD1' ' A' ' 141' ' ' PHE . . . -58.76 -51.2 70.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.633 0.254 . . . . 0.0 111.413 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.432 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.801 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -68.89 127.05 31.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.54 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -82.45 4.91 22.32 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.2 -39.49 13.51 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.62 -41.4 46.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.419 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.446 ' CE2' ' CE ' ' A' ' 145' ' ' MET . 45.6 t80 -63.44 -46.49 86.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.942 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.402 ' HA ' ' HG2' ' A' ' 145' ' ' MET . 8.7 p -66.37 -34.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -70.2 -41.98 72.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.887 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.451 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.8 ptm -71.44 -33.54 69.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.446 ' CE ' ' CE2' ' A' ' 141' ' ' PHE . 13.1 ptp -69.58 -35.34 75.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -179.85 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.825 0.345 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.44 -54.59 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.4 p -48.82 -41.19 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 111.294 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.5 m -61.42 -36.01 79.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.307 0.575 . . . . 0.0 109.568 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.402 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -73.22 -26.22 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.606 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.95 -51.49 72.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 120.703 0.287 . . . . 0.0 110.315 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.3 p -64.22 -36.83 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.869 0.366 . . . . 0.0 110.332 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.412 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 1.1 tt -63.21 -33.63 62.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.91 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.425 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -64.0 -40.58 96.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.537 178.761 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -33.69 74.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.849 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.126 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.1 m-85 -61.72 -36.29 80.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.992 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -59.47 -43.31 93.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.36 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -74.14 -29.13 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.331 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.451 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 6.2 t80 -63.61 -43.77 95.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.256 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.024 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.632 0.253 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.45 -56.93 14.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.248 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -70.12 -29.67 66.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.367 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.69 -50.28 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.194 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 89' ' ' PHE . 28.4 tp -59.98 -49.0 79.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.175 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.7 mt -59.66 -38.51 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.937 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.54 -46.35 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.414 . . . . 0.0 110.813 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.68 92.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' B' 1912 ' ' ILE . 0.7 OUTLIER -65.5 -35.55 81.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.116 0.484 . . . . 0.0 110.436 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -39.97 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.424 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.38 -29.02 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.71 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.423 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.71 -0.156 . . . . 0.0 112.71 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mp -125.66 153.73 43.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.725 0.298 . . . . 0.0 110.769 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.7 tt -135.59 142.23 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.271 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.21 135.45 36.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.16 -40.29 71.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.216 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.98 -53.07 62.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.59 -40.97 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.2 tp -57.97 -28.49 64.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.398 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -70.33 -51.74 27.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.338 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -63.74 -36.73 84.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.85 -63.61 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -45.64 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.089 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.2 p -63.88 -36.59 84.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.371 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -73.36 -16.9 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.414 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.402 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.0 pp -115.4 -177.1 3.06 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-O 121.457 0.646 . . . . 0.0 112.214 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.93 -134.3 37.34 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.42 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -98.37 42.79 1.08 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 61.65 61.25 1.48 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.576 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.77 117.94 1.65 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.052 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -60.94 153.59 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.124 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -68.72 -29.08 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.73 -48.22 69.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.75 -41.83 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.188 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.6 p -76.07 -32.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.62 -30.8 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.24 -37.59 44.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.606 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -33.98 61.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.675 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.7 pt -74.36 -36.3 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 111.669 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -29.31 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -21.58 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.613 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.67 68.8 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.331 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.58 130.68 43.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.294 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.423 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 1.1 p90 -84.18 6.65 21.73 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -41.67 12.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.981 0.419 . . . . 0.0 110.347 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.87 -36.22 56.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -66.77 -49.19 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.8 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.1 p -64.33 -36.58 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.494 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -72.99 -42.72 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.857 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.441 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 0.0 OUTLIER -71.77 -31.93 67.14 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.009 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -28.73 54.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.621 0.248 . . . . 0.0 111.645 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.279 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.814 0.34 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -66.57 -49.5 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 14.6 m -54.14 -45.4 66.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.844 0.354 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 55.8 p -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.183 0.516 . . . . 0.0 109.898 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1909 ' ' ALA . . . . . 0.402 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -75.14 -18.71 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.137 179.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.94 -47.55 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.068 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.1 p -65.31 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.423 HD13 ' CD2' ' A' ' 89' ' ' PHE . 3.3 tt -62.15 -33.21 57.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.115 0.483 . . . . 0.0 110.065 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.433 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -61.99 -43.38 98.95 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.347 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -28.68 68.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.215 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.56 91.83 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.217 179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -59.19 -34.86 72.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.476 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -60.43 -49.97 75.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -33.73 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.398 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.441 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 10.8 t80 -59.1 -49.96 75.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.541 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.951 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.329 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -57.51 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.584 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.95 -46.73 86.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.637 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.81 -50.28 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.525 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.6 tm? -57.18 -53.09 62.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.443 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.8 mt -55.14 -39.62 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.381 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -72.85 -42.9 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.138 0.494 . . . . 0.0 110.761 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.55 92.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.967 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.423 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -69.26 -35.31 75.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.671 179.833 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.39 -42.47 61.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.2 t -59.53 -27.36 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.401 ' CZ ' ' OG ' ' B' 1908 ' ' SER . 52.2 m-85 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.022 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.441 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.407 -0.277 . . . . 0.0 112.407 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.1 mt -112.9 152.88 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 tt -145.76 133.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -74.53 138.49 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.96 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.262 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -53.04 62.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -38.93 64.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.9 tp -57.57 -31.88 66.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -68.47 -51.23 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.78 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -63.65 -44.93 92.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.349 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.3 t -56.96 -61.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.755 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.2 mmt -60.92 -48.23 82.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.189 -178.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.8 p -64.53 -38.77 92.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.603 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -71.31 -17.51 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.725 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 113' ' ' GLY . 1.3 pp -118.58 179.48 4.11 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-O 121.516 0.674 . . . . 0.0 112.267 -179.489 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.4 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 71.78 -129.83 16.58 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.227 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -101.42 39.21 1.46 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm 62.23 61.86 1.25 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.461 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.92 119.01 2.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.977 -179.015 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 p -56.13 147.76 19.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.618 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.36 -27.12 65.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.78 -48.43 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.92 -44.21 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.25 -32.54 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.31 -36.66 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.07 -52.21 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.631 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 3.7 ptt? -60.19 -46.07 90.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.796 -179.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.3 pt -63.89 -27.59 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.713 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -42.39 59.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.77 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -81.45 -23.06 37.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.445 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.422 ' HA ' ' CD1' ' A' ' 141' ' ' PHE . . . -58.67 -51.61 69.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.656 0.265 . . . . 0.0 111.479 -179.564 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.348 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 15.9 mt . . . . . 0 CA--C 1.522 -0.096 0 CA-C-O 120.843 0.354 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -84.96 125.08 32.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.295 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.441 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 3.4 p90 -77.03 -1.12 27.25 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -88.85 -39.79 13.59 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 120.856 0.36 . . . . 0.0 110.052 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.16 -38.95 50.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 11.2 t80 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.867 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.58 -33.78 61.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.676 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -53.7 55.07 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -32.02 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.061 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' B' 1919 ' ' TYR . 1.9 mtm -57.24 -34.33 68.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.395 -179.653 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.989 0.424 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.06 -51.15 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 16.7 m -53.71 -42.29 50.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.803 0.335 . . . . 0.0 111.563 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1908 ' ' SER . . . . . 0.401 ' OG ' ' CZ ' ' A' ' 92' ' ' PHE . 17.0 p -57.11 -36.2 70.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.571 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.81 -25.34 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.118 179.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.0 mt -61.31 -56.86 15.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 110.154 179.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -61.75 -37.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.461 179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -34.75 65.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.16 0.505 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B 1913 ' ' GLN . . . . . 0.44 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.1 tt0 -60.82 -41.37 95.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.618 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -60.91 -33.76 73.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.207 178.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.84 93.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.609 179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.0 m-85 -60.32 -35.66 76.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -60.91 -43.81 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.21 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -70.94 -32.42 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.174 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1919 ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' A' ' 145' ' ' MET . 17.7 t80 -57.78 -62.16 2.0 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.417 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.741 179.639 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.793 0.33 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.06 82.44 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -50.89 173.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.659 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -145.3 39.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.18 -30.47 70.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.072 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.67 -43.42 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.129 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -57.31 -57.22 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.555 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -63.62 -42.89 98.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.508 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -68.26 -35.18 77.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 89' ' ' PHE . 13.6 tp -70.51 -48.01 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.09 -40.7 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.81 -44.68 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.18 -42.32 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.001 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' B' 1912 ' ' ILE . 0.2 OUTLIER -70.67 -36.41 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.29 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -52.95 -37.59 61.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.84 -28.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.087 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' B' 1905 ' ' GLU . 68.9 m-85 -104.87 29.19 6.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -74.16 135.68 42.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -126.87 -45.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -31.44 70.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.09 -43.03 1.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.429 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -74.57 -36.9 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.449 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 140.8 56.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -131.45 162.52 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.0 tt -140.39 145.42 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m -85.28 125.54 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.06 -34.51 77.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.27 -53.11 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -78.12 -37.83 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.5 tp -58.01 -30.1 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.201 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -51.7 56.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.023 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -65.63 -39.56 91.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.8 t -58.4 -62.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.567 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -48.3 82.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.969 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.1 p -61.59 -39.94 92.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.734 0.302 . . . . 0.0 111.439 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.99 -17.01 62.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.694 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 pp -115.43 -177.57 3.17 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.476 0.655 . . . . 0.0 112.155 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.52 -134.95 35.89 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.666 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.9 42.27 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 61.4 63.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.934 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.49 119.83 3.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.657 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.7 p -55.56 145.25 23.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.761 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -69.44 -29.17 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.273 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -73.94 -47.91 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -59.81 -39.67 85.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.132 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.42 -32.52 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -30.98 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.455 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.5 -52.07 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.446 ' CE ' ' CZ ' ' B' 1916 ' ' TYR . 3.7 ptt? -56.87 -39.66 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.609 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.1 pt -74.02 -33.02 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.719 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -66.87 -41.04 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.9 -21.06 44.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.624 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' CB ' ' CG2' ' A' ' 136' ' ' ILE . . . -60.72 -51.54 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.22 -81.02 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.242 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 28.8 mt 59.73 93.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.88 146.78 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.91 -95.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.88 -75.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.805 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -164.77 28.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.735 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -73.98 132.75 42.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.798 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.403 ' CG2' ' CB ' ' A' ' 128' ' ' ALA . 30.8 mt -137.53 112.79 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.502 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.96 123.77 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.288 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.449 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 2.2 p90 -77.66 -0.97 28.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.61 -42.35 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.894 0.378 . . . . 0.0 110.582 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.13 -38.42 56.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.806 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.15 -49.33 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.954 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.25 -34.25 65.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 0.0 110.358 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.27 -53.49 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.8 ptm -70.13 -31.69 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 47.6 ttm -58.48 -32.45 68.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.3 m -107.53 -32.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.5 t -63.82 -30.18 71.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.1 tttt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.895 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -59.91 138.14 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 5.5 mttm -73.35 77.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -62.64 -20.86 65.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.436 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1905 ' ' GLU . . . . . 0.418 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 7.2 mt-10 -54.76 -52.24 63.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.722 0.296 . . . . 0.0 111.429 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.19 -41.11 92.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.029 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 20.4 t -53.45 -57.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.424 . . . . 0.0 111.269 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 3.2 m -57.58 -27.11 62.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.578 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -70.67 -28.4 64.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 49.0 mt -72.46 -51.53 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 110.5 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.1 p -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.42 HD12 ' CE2' ' A' ' 89' ' ' PHE . 6.5 tt -59.08 -31.99 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.2 tt0 -63.7 -36.64 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.497 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -62.61 -35.65 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.88 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.67 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.446 ' CZ ' ' CE ' ' A' ' 124' ' ' MET . 19.5 m-85 -58.97 -39.34 81.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.672 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -59.2 -44.36 92.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.578 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -72.4 -33.04 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.451 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 34.6 t80 -60.49 -54.59 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -31.33 71.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 52.2 mt -82.55 -77.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -6.18 -74.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.191 1.396 . . . . 0.0 114.731 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -73.75 66.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.93 76.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -109.62 -65.86 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 34.2 mttm -160.87 133.18 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.217 -0.897 . . . . 0.0 112.092 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -127.11 27.94 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 57.2 -172.97 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.862 0.363 . . . . 0.0 111.162 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -176.8 37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.761 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.33 -50.15 66.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -40.75 74.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.354 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.53 -55.78 15.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.645 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -67.94 -34.4 76.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.34 -49.81 21.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 111.315 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' A' ' 89' ' ' PHE . 59.4 tp -59.26 -50.32 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.204 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.97 -39.51 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.09 -45.36 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.703 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.66 92.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' B' 1912 ' ' ILE . 2.0 m-85 -72.15 -35.59 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -35.82 62.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.5 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.611 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.31 28.63 6.69 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -78.57 84.85 4.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 110.659 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -83.14 -40.12 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.314 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.403 ' OD1' ' CD2' ' A' ' 135' ' ' HIS . 3.1 t70 -57.96 -22.7 50.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.464 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.09 -45.35 2.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.172 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -80.07 -46.79 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.54 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 150.57 43.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.895 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mt -122.91 151.38 41.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.472 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.7 tt -138.43 129.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.388 . . . . 0.0 111.375 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.31 139.33 52.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.043 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.2 -34.48 70.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.23 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.332 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.99 -44.31 55.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.4 tp -55.22 -33.46 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.456 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -51.61 59.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.011 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.3 t -56.55 -63.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.717 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -48.13 83.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.955 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.1 p -61.09 -44.32 97.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.307 . . . . 0.0 111.368 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -67.29 -17.62 64.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.618 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 pp -115.09 -176.22 2.86 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.468 0.651 . . . . 0.0 112.211 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.85 -133.88 37.52 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.531 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -98.33 41.84 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 61.72 60.88 1.52 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.642 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.76 124.79 6.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.913 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.9 p -65.24 153.63 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.261 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.05 -30.28 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.009 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.34 -49.0 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.83 95.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.7 p -73.67 -32.25 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.005 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -72.36 -34.89 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -73.2 -38.46 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.706 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.09 -33.97 61.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.0 pt -74.6 -28.03 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.605 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.42 -29.05 59.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -82.38 -28.8 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.345 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 141' ' ' PHE . . . -66.33 -51.71 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 111.431 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.2 -58.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.215 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.8 tt 44.87 39.12 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.208 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.08 143.2 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.61 60.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.0 30.16 19.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.1 57.43 4.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.66 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.403 ' CD2' ' OD1' ' A' ' 95' ' ' ASP . 16.4 m170 -123.63 111.6 16.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 110.618 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 15.8 mt -117.44 108.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.342 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.23 126.11 29.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.408 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.418 ' CE2' ' HA2' ' A' ' 98' ' ' GLY . 1.3 p90 -78.5 0.33 26.47 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -86.77 -40.59 14.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.124 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.79 -39.72 50.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.47 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.448 ' CZ ' ' CE ' ' A' ' 145' ' ' MET . 25.8 t80 -61.41 -48.61 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.092 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.3 p -67.51 -36.51 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 110.142 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -62.38 -53.49 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -32.94 69.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.364 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.448 ' CE ' ' CZ ' ' A' ' 141' ' ' PHE . 1.8 ttp -60.08 -52.96 63.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 23.4 m -84.87 -32.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.76 37.23 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.742 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 pttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.919 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.2 tptm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.25 89.14 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -148.41 107.84 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -68.81 -21.74 64.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.507 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -58.46 -65.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 0.0 111.657 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.92 -54.85 37.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 14.4 p -50.38 -46.87 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 111.507 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.7 m -59.51 -31.7 69.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.083 0.468 . . . . 0.0 110.171 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -74.5 -24.45 59.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.024 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.2 mm -67.39 -50.89 58.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.2 p -63.83 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -60.71 -34.85 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.442 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.414 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.1 OUTLIER -63.31 -39.3 94.18 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -61.41 -33.36 73.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.08 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.59 92.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.402 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.8 m-85 -57.1 -36.77 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.539 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -49.41 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.03 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -35.03 77.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 38.7 t80 -62.85 -60.9 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.209 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.83 -37.52 66.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.468 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.2 pp -85.19 144.6 28.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.791 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.09 -178.64 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.142 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -59.72 154.4 18.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.89 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.248 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 31.7 t -60.83 110.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 5.9 mtpt 59.02 45.55 14.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.036 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.885 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.777 0.322 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -133.12 78.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.632 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -78.68 -174.39 3.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.229 0.538 . . . . 0.0 111.22 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -124.97 71.56 1.19 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.822 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -56.03 -19.58 13.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.964 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -98.45 -61.67 1.35 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 111.502 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.54 -57.77 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.117 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.97 -38.56 76.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.98 -50.03 17.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 111.538 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 89' ' ' PHE . 28.0 tp -59.28 -48.48 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.143 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.1 mt -58.87 -40.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.694 0.283 . . . . 0.0 110.61 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -46.33 68.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -52.22 66.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.453 ' CG ' ' CD1' ' B' 1912 ' ' ILE . 0.3 OUTLIER -60.59 -35.52 76.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.158 0.504 . . . . 0.0 110.35 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -41.82 62.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.753 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.51 -27.24 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.165 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -101.96 28.96 5.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -69.02 147.97 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -131.81 -60.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.405 ' OD1' ' CD2' ' A' ' 135' ' ' HIS . 13.0 m-20 -60.09 -30.23 69.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.53 -45.57 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.376 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -64.61 -32.11 73.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.809 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.456 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 133.46 46.25 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.644 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 mp -118.43 152.83 35.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 tt -132.23 141.83 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.09 135.86 35.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.22 -41.1 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.31 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.507 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -77.11 -40.42 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.63 -40.21 75.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.289 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -60.11 -51.27 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.74 -44.74 92.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.046 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.3 t -59.25 -58.74 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.475 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.8 mmt -59.95 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.816 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.8 p -67.33 -30.02 69.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.19 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -79.89 -13.63 59.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.708 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.42 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.0 pp -120.18 -176.15 3.14 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.244 0.545 . . . . 0.0 111.825 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.47 -134.96 33.37 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.82 43.22 1.07 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt 62.15 61.64 1.3 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.619 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.13 131.81 12.54 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.02 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 p -70.23 149.9 46.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.231 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.76 -32.67 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.74 -47.5 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.713 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.06 -32.72 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.03 -52.31 65.78 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.04 -35.17 77.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.449 ' CE ' ' CZ ' ' B' 1916 ' ' TYR . 0.2 OUTLIER -64.86 -54.34 32.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.5 pt -67.22 -27.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.913 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.27 -39.37 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -22.83 25.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.592 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.59 -51.82 68.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.51 -61.61 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.039 0.447 . . . . 0.0 110.158 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.1 tt 44.35 39.36 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.111 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -54.69 173.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.405 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.64 72.77 0.25 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.836 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 178.83 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 0.0 110.667 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 116.61 -25.49 9.05 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.567 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.405 ' CD2' ' OD1' ' A' ' 95' ' ' ASP . 20.4 m80 -66.44 127.07 30.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.699 0.285 . . . . 0.0 110.587 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 15.9 mt -121.16 101.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.627 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.97 107.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.291 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 1.7 p90 -57.8 -19.89 31.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.896 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.25 95.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.382 . . . . 0.0 110.728 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -71.94 -41.73 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.38 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 124' ' ' MET . 24.5 t80 -65.82 -48.39 71.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -67.86 -36.89 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.396 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.71 68.62 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -31.41 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.424 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 50.6 ttm -57.84 -32.47 67.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.1 m -111.03 -29.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.354 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.37 31.16 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.111 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 22.7 mttt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.853 0.358 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -109.61 32.14 5.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.93 157.24 17.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.47 15.52 5.4 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.207 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.07 -49.49 67.42 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.766 0.317 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.2 -56.56 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.8 m -46.32 -49.0 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 111.625 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 97.8 p -60.1 -32.22 70.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.252 0.549 . . . . 0.0 109.955 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.42 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -74.51 -23.73 58.88 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.955 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.83 -51.85 51.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.933 0.397 . . . . 0.0 110.122 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -61.71 -38.52 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.453 ' CD1' ' CG ' ' A' ' 89' ' ' PHE . 2.4 tt -61.98 -33.01 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.352 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.432 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.3 tt0 -63.18 -41.17 99.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.379 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -61.44 -32.95 72.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.08 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.38 96.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.447 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.449 ' CZ ' ' CE ' ' A' ' 124' ' ' MET . 9.7 m-85 -58.78 -39.11 80.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.364 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -44.63 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.472 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -31.49 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.9 t80 -58.73 -61.57 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.681 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.2 mt -63.67 -42.16 98.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.212 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -85.48 -177.65 6.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 11.0 tttp -176.37 176.59 1.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -50.15 3.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.6 tptt 62.23 123.42 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.889 0.376 . . . . 0.0 111.204 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -60.06 -43.28 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? 60.5 82.28 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 3.0 mmmt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.866 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -100.45 -38.06 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 61.23 -177.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.45 56.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.991 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.76 -13.1 62.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.911 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 p -109.84 -44.09 3.89 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -57.22 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.331 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.32 -35.45 80.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.84 -49.91 22.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 111.324 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.6 tp -57.68 -49.78 75.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.4 mt -58.48 -40.46 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -69.65 -43.18 73.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.719 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.12 91.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.033 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CZ ' HD11 ' B' 1912 ' ' ILE . 2.4 m-85 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.65 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -53.22 -36.36 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.484 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.5 -26.85 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -100.45 28.99 4.63 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -78.65 142.25 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -124.87 -44.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.19 -30.37 66.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.35 -52.22 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -59.91 -49.1 79.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.452 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 154.55 46.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.601 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.419 HD11 ' CG ' ' A' ' 135' ' ' HIS . 29.5 mt -116.09 152.09 34.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 111.04 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.4 tt -138.15 120.32 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.1 t -64.38 130.77 45.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.45 -31.76 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.357 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.27 60.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.97 -39.91 48.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.7 tp -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.518 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -63.06 -51.56 66.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -64.12 -42.34 96.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.7 t -54.67 -64.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 111.714 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -48.0 83.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.16 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.4 p -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -76.18 -19.83 58.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.551 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -117.76 -178.06 3.39 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.637 0.732 . . . . 0.0 112.478 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 68.74 -129.75 24.88 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.599 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.02 39.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 59.91 60.06 2.27 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.428 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.08 130.49 7.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.15 -178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -75.93 155.53 35.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.405 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -68.6 -30.83 69.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.71 -40.06 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.15 -52.93 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.0 p -65.21 -33.01 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.37 -52.61 64.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.81 -33.36 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.254 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.463 ' CG ' ' CZ ' ' A' ' 141' ' ' PHE . 1.0 OUTLIER -65.58 -54.19 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.258 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.8 pt -69.85 -26.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -74.14 -38.91 63.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.398 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.94 -4.51 32.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' HA ' ' CD1' ' A' ' 141' ' ' PHE . . . -70.44 -51.55 28.53 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.742 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t0 178.41 -68.61 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.857 0.361 . . . . 0.0 111.19 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 22.4 mt 69.07 141.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -176.64 111.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.24 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.6 -121.58 25.08 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.896 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.2 -25.64 34.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.651 0.262 . . . . 0.0 111.417 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 126.48 32.04 0.74 Allowed Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.244 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.419 ' CG ' HD11 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -74.85 83.21 2.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.965 0.412 . . . . 0.0 110.111 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 25.3 mt -86.47 122.88 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.87 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -84.76 129.43 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.049 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.452 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 1.1 p90 -79.77 1.88 25.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.94 -42.06 13.45 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -74.48 -36.18 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.979 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.463 ' CZ ' ' CG ' ' A' ' 124' ' ' MET . 16.6 t80 -66.88 -48.24 69.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.38 -33.7 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.006 0.431 . . . . 0.0 110.391 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -65.54 -53.29 44.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.41 ' HE2' ' CZ ' ' B' 1919 ' ' TYR . 0.2 OUTLIER -68.58 -31.2 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.922 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.434 ' CE ' ' CZ ' ' A' ' 141' ' ' PHE . 55.9 ttm -58.9 -46.02 88.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.33 -28.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.0 t -98.3 30.57 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.782 0.325 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 62.1 157.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 147.9 26.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.761 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -85.13 56.35 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.063 0.459 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.78 -46.22 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.627 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.33 -48.36 76.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t -55.73 -42.79 71.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 4.8 m -57.15 -34.25 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.77 -24.95 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.133 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.2 mt -64.15 -54.43 31.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.886 0.374 . . . . 0.0 110.358 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.0 p -62.09 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.425 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 1.2 tt -62.22 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -37.58 86.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -34.88 79.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.126 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.89 97.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.441 ' CZ ' ' CE ' ' A' ' 124' ' ' MET . 9.3 m-85 -59.34 -36.76 76.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.315 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -62.25 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.218 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.07 -32.13 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.401 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.4 t80 -58.14 -60.32 3.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.308 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1920 ' ' LEU . . . . . 0.412 HD13 ' CD2' ' B' 1919 ' ' TYR . 8.9 mp -61.78 -28.88 69.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.731 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.06 -37.72 88.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.97 56.55 4.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.74 127.17 36.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1924 ' ' LYS . . . . . 0.403 ' N ' ' CE ' ' B' 1924 ' ' LYS . 0.0 OUTLIER -74.19 -30.56 62.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 29.4 t -103.1 84.79 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.21 97.18 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.813 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 10.1 pttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.88 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.5 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.815 0.34 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -148.86 77.59 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.46 -169.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -131.95 175.63 9.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.934 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -60.31 -19.95 57.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.682 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.83 -39.41 3.28 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.692 0.282 . . . . 0.0 111.32 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.78 -53.92 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.946 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -62.33 -51.54 67.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.89 -43.33 88.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.711 0.291 . . . . 0.0 111.66 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD1' ' CG1' ' B' 1912 ' ' ILE . 34.1 tp -59.57 -49.73 76.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.31 -36.54 69.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.79 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -73.18 -47.36 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.49 95.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.74 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CE1' HD12 ' B' 1912 ' ' ILE . 0.3 OUTLIER -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 110.199 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.81 61.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.668 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.6 t -62.22 -29.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.76 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -100.98 28.95 4.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.252 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.34 148.76 35.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -103.06 -79.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.021 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -176.91 37.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -136.53 36.54 1.98 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.337 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 63.63 28.87 15.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 110.94 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . 120.01 46.2 0.39 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.771 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.406 HD23 ' CD2' ' A' ' 135' ' ' HIS . 9.0 mp -113.21 144.02 43.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.967 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.1 tt -131.8 136.85 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 t -77.39 137.57 38.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.99 -51.27 26.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.621 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.41 74.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.908 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.82 -41.22 60.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.382 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.5 tp -57.8 -38.38 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.409 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -58.51 -51.16 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.322 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -64.41 -42.43 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.466 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.1 t -56.43 -63.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.962 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -42.78 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.0 p -64.97 -36.24 83.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.516 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -75.71 -16.51 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.673 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.3 pp -115.41 -176.56 2.94 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.306 0.574 . . . . 0.0 112.007 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.69 -134.99 35.43 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.222 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 42.96 1.08 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt 61.71 61.46 1.43 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.583 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.74 131.64 9.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.136 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.9 p -70.84 150.81 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.167 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.67 -29.9 68.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.92 -48.99 66.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.207 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.83 -42.5 93.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.95 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.6 p -75.52 -32.23 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.87 -34.67 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.66 -36.08 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.568 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.2 OUTLIER -75.46 -33.46 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.395 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.2 pt -73.59 -41.08 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -27.93 64.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.256 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.74 -14.41 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.34 -51.43 63.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.53 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 0.0 110.626 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.4 mm 58.05 97.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.24 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -113.78 -34.62 5.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.08 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 138.05 156.3 7.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.7 30.27 19.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.96 75.37 0.27 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.568 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.406 ' CD2' HD23 ' A' ' 99' ' ' LEU . 14.2 m170 -150.69 113.41 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.8 mt -138.09 110.48 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.405 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.46 131.18 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.311 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.438 ' CE2' ' CA ' ' A' ' 98' ' ' GLY . 1.5 p90 -86.49 10.37 15.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -39.11 13.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.036 0.446 . . . . 0.0 110.173 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -76.74 -42.19 42.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.435 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 54.8 t80 -62.18 -48.91 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.009 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.5 p -63.88 -35.98 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.65 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.09 -43.94 66.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.94 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.438 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.2 ptm -70.87 -31.9 68.72 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -27.22 49.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.553 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.1 m -98.47 -32.8 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.234 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.79 22.35 6.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.499 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 55.0 mttt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.333 179.824 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.02 137.35 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 19.9 mttt -59.54 95.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -85.97 50.83 2.05 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.402 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.28 -43.18 87.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -61.82 -53.01 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.653 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -45.08 -57.4 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -57.05 -29.17 63.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.412 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -73.98 -28.15 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.987 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1910 ' ' ILE . . . . . 0.405 HD11 HG21 ' B' 1910 ' ' ILE . 41.2 mt -65.78 -52.05 54.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.323 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.65 -38.82 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.43 HD12 ' CE1' ' A' ' 89' ' ' PHE . 3.6 tt -62.9 -32.0 54.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 110.463 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.4 OUTLIER -63.52 -39.98 95.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -36.05 78.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.034 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.13 91.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 22.0 m-85 -60.11 -35.78 75.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.169 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -42.1 86.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.911 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -34.55 70.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.83 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 15.1 t80 -59.69 -54.19 49.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.321 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -29.6 67.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.743 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 23.2 mt -74.96 72.56 2.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.001 0.429 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 7.2 tttt -120.9 -42.59 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -130.72 101.39 5.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.74 148.97 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -118.9 142.94 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 12.0 tptm -66.38 -43.97 84.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 8.1 mmtm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.955 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.738 0.304 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -122.49 29.01 7.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -55.45 179.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.088 0.471 . . . . 0.0 111.504 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.74 167.01 15.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.47 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -61.27 -14.8 29.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 p -114.43 -38.72 3.99 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.626 0.251 . . . . 0.0 111.367 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -56.78 -57.2 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.677 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.95 -40.57 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.642 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.74 -49.55 68.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.294 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.431 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.5 tm? -58.12 -51.93 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.518 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mt -56.15 -36.4 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 111.108 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.46 -44.81 61.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.703 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.4 96.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -71.2 -35.71 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.082 0.468 . . . . 0.0 110.697 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -53.82 -35.99 62.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.598 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.7 t -66.54 -26.41 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.132 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -107.54 29.3 7.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -74.34 102.45 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -88.56 -51.86 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.019 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -30.63 70.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.065 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.69 -52.68 0.86 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -61.24 -35.94 78.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 139.0 44.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.628 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -125.0 151.24 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.683 0.277 . . . . 0.0 110.647 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.7 tt -135.15 140.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.291 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.19 135.11 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.05 -51.59 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.21 -38.08 60.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.147 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.3 tp -58.87 -31.26 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -67.16 -51.2 56.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -63.65 -40.2 96.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.435 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.1 t -59.61 -63.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.703 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -45.05 94.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.967 -178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 p -65.13 -38.02 89.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.209 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -73.75 -14.08 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.465 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.408 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.5 pp -118.88 -175.9 3.0 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.416 0.627 . . . . 0.0 112.184 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.87 -134.66 37.61 Favored Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.383 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.52 43.09 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.39 61.41 1.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.75 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.7 120.67 3.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.987 -179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.5 p -60.24 152.19 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.145 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -68.95 -30.75 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -67.42 -46.22 73.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.325 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.9 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.93 -32.5 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -29.58 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.57 -39.44 58.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -34.49 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 pt -74.53 -29.36 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 111.39 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.2 ttt85 -71.02 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.15 -5.92 29.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.002 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.98 -52.77 25.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.757 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.0 t70 176.99 -69.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.4 mt 69.85 113.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.0 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.98 -174.15 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.737 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -57.58 -52.73 50.11 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 135' ' ' HIS . 8.9 t70 -79.45 -27.06 41.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 0.0 111.008 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 125.17 6.55 6.27 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.313 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 133' ' ' ASP . 17.3 m80 -64.57 143.94 57.56 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 117.306 0.553 . . . . 0.0 110.679 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.0 mt -140.14 109.6 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 111.354 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -69.39 127.13 31.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.443 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 0.9 OUTLIER -80.25 2.21 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -88.4 -39.36 14.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -76.32 -38.83 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.7 -46.49 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.834 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.84 -33.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -62.69 -53.91 47.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -31.73 68.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.3 ttp -57.9 -34.11 69.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.11 -25.42 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.211 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.1 t -97.38 30.47 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.035 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.875 0.369 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.18 74.77 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.701 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 4.4 mttt -106.91 79.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -27.91 25.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.86 -48.76 78.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -58.01 -45.04 87.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.053 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t -51.29 -52.71 18.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.957 0.408 . . . . 0.0 111.371 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.5 m -55.7 -31.57 62.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.408 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -73.7 -27.32 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.46 -51.36 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.6 p -62.26 -38.27 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.403 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -62.19 -34.61 64.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.054 0.454 . . . . 0.0 110.042 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.426 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -63.06 -40.01 96.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 178.685 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.74 -32.76 73.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.157 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.78 96.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.217 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 18.7 m-85 -57.75 -38.84 76.09 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -60.81 -33.85 73.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.104 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -80.79 -31.42 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.37 -54.57 41.99 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.521 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.4 mt -78.03 -44.14 27.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.643 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 12.2 mt -85.3 78.77 9.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.769 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.62 -46.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.115 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -56.55 -171.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.226 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 11.7 mttp -56.24 146.26 24.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.3 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.3 t -64.3 -41.49 92.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 171.22 12.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 9.6 mtmt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.797 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.38 -46.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 62.25 116.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 177.49 -35.87 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.973 0.416 . . . . 0.0 111.328 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -52.92 -25.02 10.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.768 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 m -83.58 -57.9 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 111.37 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.95 -49.85 76.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.549 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.54 -54.14 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.27 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -64.11 -45.19 89.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.43 HD22 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -58.94 -50.33 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.142 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.6 mt -59.02 -39.93 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.0 -44.63 68.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.02 0.438 . . . . 0.0 110.722 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.19 82.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CE2' HD22 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.5 -35.67 81.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.421 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.0 -39.54 63.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.795 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.9 t -62.5 -27.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.033 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -104.99 28.94 6.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.244 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -71.07 96.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.608 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -83.06 -54.49 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' OD1' ' CE1' ' A' ' 135' ' ' HIS . 0.8 OUTLIER -61.11 -29.97 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.054 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.45 -46.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -66.86 -31.83 72.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.804 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 135.32 44.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.96 162.86 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.581 0.229 . . . . 0.0 110.741 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.9 tt -147.64 136.15 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.1 136.99 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.26 -37.35 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.23 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.68 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.405 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -75.88 -37.12 59.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.5 tp -59.01 -34.55 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.046 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -63.84 -51.54 64.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -63.16 -43.21 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.58 -62.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.591 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -45.4 93.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.039 -179.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 79.8 p -64.36 -36.26 83.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 111.52 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -74.33 -17.36 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.481 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.0 pp -114.68 -176.17 2.84 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.288 0.566 . . . . 0.0 111.944 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.18 -136.8 37.57 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.43 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -97.72 44.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm 61.6 62.06 1.37 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.624 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.23 125.59 8.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.836 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 p -70.72 153.27 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -69.15 -28.55 66.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -42.14 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.1 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.4 p -74.71 -31.99 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.01 -34.63 75.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.0 -39.59 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -33.68 64.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.622 0.249 . . . . 0.0 111.618 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.7 pt -74.5 -28.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.728 0.299 . . . . 0.0 111.531 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -73.18 -30.41 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -90.31 -26.69 19.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.8 72.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.453 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.76 -69.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 28.5 mm -111.93 136.81 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -101.52 31.9 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 173.45 -132.32 2.29 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -60.72 101.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 162.14 166.18 20.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.565 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.401 ' CE1' ' OD1' ' A' ' 95' ' ' ASP . 33.0 m170 -87.81 135.21 33.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 16.5 mt -117.86 106.22 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -70.76 124.75 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.413 ' CE2' ' HA2' ' A' ' 98' ' ' GLY . 1.5 p90 -77.45 -1.6 31.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.125 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.11 -38.88 16.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.718 0.294 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.9 -40.72 46.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.06 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.816 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.9 p -68.86 -33.45 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -54.14 49.73 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -31.57 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.102 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ttm -57.36 -31.71 66.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 34.5 m -111.21 -29.05 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.326 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.2 t -97.75 30.73 2.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 26.5 mtpt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.957 0.408 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.7 32.47 18.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 16.7 pttm -90.92 -31.12 16.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -79.97 -15.13 57.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.721 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -54.08 -48.1 71.0 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.38 -31.03 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 23.5 t -65.01 -59.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.3 m -57.37 -27.95 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.961 0.41 . . . . 0.0 110.966 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.412 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -79.24 -22.96 44.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.623 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1910 ' ' ILE . . . . . 0.421 HG23 ' N ' ' B' 1911 ' ' VAL . 0.2 OUTLIER -75.21 -36.33 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.404 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1911 ' ' VAL . . . . . 0.421 ' N ' HG23 ' B' 1910 ' ' ILE . 13.5 p -72.27 -37.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.921 0.391 . . . . 0.0 110.107 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.404 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -62.93 -34.29 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.836 179.257 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.427 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -64.09 -41.6 97.24 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.448 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -60.66 -33.21 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.955 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.47 97.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.427 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.7 m-85 -61.26 -35.73 78.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.253 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.55 -43.83 93.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.224 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -32.83 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.115 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -60.12 -54.46 45.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.44 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -32.26 73.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 23.5 mt -77.54 107.78 10.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.98 118.53 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -60.73 157.77 14.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.77 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.76 66.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.744 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.1 p -78.43 146.09 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 24.7 mttt 60.71 157.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.2 mtp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.797 0.332 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.84 123.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -102.91 -172.07 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -139.42 19.13 2.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.674 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.62 -31.98 63.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.837 0.351 . . . . 0.0 110.782 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 m -99.08 -22.56 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.352 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.05 -57.12 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 111.339 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.58 -43.34 80.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.576 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.22 -49.88 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.6 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.421 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -57.19 -50.52 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.62 -39.16 68.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.711 0.291 . . . . 0.0 111.139 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -45.71 61.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.494 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.16 78.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.879 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -66.12 -35.94 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -41.08 51.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.889 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.37 -26.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.89 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.34 28.11 9.04 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.68 103.18 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.84 26.21 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.057 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.39 -30.36 57.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.726 0.298 . . . . 0.0 110.856 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.58 -71.19 0.38 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.379 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.46 -30.23 25.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.749 0.309 . . . . 0.0 110.782 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 139.53 52.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 mt -109.3 150.82 27.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.2 tt -130.2 142.05 44.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.203 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.4 m -83.92 128.02 34.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.36 -31.69 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.431 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.58 56.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.214 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.48 -35.2 46.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.6 tp -56.09 -35.57 67.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.491 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -63.93 -51.4 64.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.421 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -64.12 -41.12 97.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.7 t -58.7 -62.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.75 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -48.1 83.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.066 -178.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.1 p -61.63 -37.56 84.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 0.0 111.386 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -73.03 -17.52 61.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.404 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.2 pp -115.28 -176.53 2.93 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.463 0.649 . . . . 0.0 112.325 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.5 -134.81 38.77 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.542 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -98.2 43.19 1.07 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 61.44 62.44 1.34 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.5 116.58 1.33 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.857 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.6 p -55.73 150.0 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.619 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -69.51 -30.54 68.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -49.15 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -48.88 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.21 -31.53 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -68.25 -32.18 72.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.552 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -52.37 9.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.606 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -58.34 -35.65 72.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.151 -179.18 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.3 pt -74.15 -42.43 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 111.739 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -28.46 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.311 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -25.22 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.451 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.17 -50.78 71.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.656 0.265 . . . . 0.0 111.64 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 179.06 -75.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.644 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.0 mm -114.99 154.54 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -138.18 142.64 40.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.01 76.35 0.9 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.88 83.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -176.53 149.67 9.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.523 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -66.3 136.9 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.3 mt -135.27 106.85 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -68.75 132.31 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.555 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 1.6 p90 -85.43 9.11 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.57 -40.76 12.41 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 120.962 0.411 . . . . 0.0 110.336 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.81 -39.34 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.536 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 46.2 t80 -65.72 -46.24 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.771 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.57 -31.27 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.403 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -53.64 46.28 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.422 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 5.9 ptm -69.26 -32.01 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.415 ' HG2' ' CG ' ' B' 1919 ' ' TYR . 1.9 mtm -59.55 -41.96 91.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 12.0 p -94.91 -26.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.261 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.6 t -91.31 18.07 7.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.452 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.035 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.927 0.394 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -145.78 155.83 43.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.79 26.5 5.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -85.54 56.03 3.78 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.011 0.434 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -54.83 36.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.25 -49.76 73.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.456 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.8 t -46.01 -55.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.21 -31.08 65.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.463 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.404 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -73.18 -24.63 60.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.084 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.33 -51.55 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -59.5 -37.06 68.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.403 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 1.4 tt -62.26 -33.93 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.012 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -62.53 -40.88 98.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.778 178.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -60.03 -34.31 73.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.048 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -58.53 -34.4 70.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -41.78 93.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.886 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.67 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.128 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.422 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 8.5 t80 -58.24 -62.64 1.68 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.261 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.05 -28.71 68.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.92 87.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.654 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -87.65 172.26 9.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.1 mm100 62.81 124.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 11.9 mttm -142.14 35.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.4 p -119.96 148.38 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -177.49 1.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.805 0.336 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -146.56 -63.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.24 176.58 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -115.8 33.91 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.681 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.76 -20.93 53.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.629 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -98.69 -63.63 1.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.675 0.274 . . . . 0.0 111.527 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.66 -57.55 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -59.53 -44.55 93.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.94 -50.26 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.918 0.39 . . . . 0.0 111.477 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 89' ' ' PHE . 29.3 tp -58.05 -49.44 76.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.4 mt -60.41 -39.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.706 0.288 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -51.29 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.17 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.073 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB3' ' CD2' ' A' ' 138' ' ' TYR . 0.1 OUTLIER -63.46 -36.21 83.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.151 0.501 . . . . 0.0 110.361 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -54.46 -39.14 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.604 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -60.75 -26.2 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.984 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -101.54 28.82 5.24 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -60.69 121.65 12.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.781 0.324 . . . . 0.0 110.492 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -77.16 -56.85 4.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.517 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -178.84 -22.84 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.55 47.06 3.75 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.719 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.81 24.87 2.67 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.892 0.331 . . . . 0.0 111.892 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 134.93 40.62 0.16 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.093 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.3 mt -115.38 143.82 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.2 tt -136.06 141.46 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 111.338 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -84.39 140.24 31.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.02 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.92 79.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.97 -41.38 62.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.19 -34.69 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -51.49 66.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -63.95 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.554 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.51 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.959 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -47.96 83.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.219 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.1 p -60.38 -40.11 89.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.5 -16.89 62.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.617 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.409 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.5 pp -115.68 -177.91 3.26 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.579 0.704 . . . . 0.0 112.42 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.0 -131.59 33.61 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.391 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 40.33 1.24 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt 61.73 63.24 1.17 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.555 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.85 122.39 3.21 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.958 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -55.36 145.26 22.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.716 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.29 -29.67 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.172 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.48 -47.91 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.317 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.88 -42.88 94.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.215 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.28 -32.84 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.171 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.12 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.278 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -50.91 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.497 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.44 ' CE ' ' CZ ' ' B' 1916 ' ' TYR . 3.9 ptt? -60.39 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.652 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.01 -27.63 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.702 0.286 . . . . 0.0 111.565 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -74.92 -39.99 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.49 -4.91 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.04 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 141' ' ' PHE . . . -70.89 -50.69 32.3 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.739 0.304 . . . . 0.0 111.436 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.59 -72.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.5 mt -123.8 156.33 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.72 115.57 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.714 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.84 45.33 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 t70 59.99 30.9 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.43 -135.86 8.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -117.21 135.6 53.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 17.1 mt -137.56 100.4 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.348 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -65.42 130.73 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.434 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 5.6 p90 -84.79 9.31 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.11 -38.99 13.93 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.966 0.413 . . . . 0.0 110.228 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -77.04 -38.33 53.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 29.7 t80 -66.7 -44.99 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.109 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.14 -36.77 76.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -50.46 71.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.761 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -69.43 -31.49 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.421 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 56.0 ttm -57.87 -37.73 74.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.7 m -102.24 -25.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.17 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -96.93 34.76 1.66 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.77 0.319 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 16.3 mtp-105 -80.48 -36.06 33.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 38.7 mttt -71.9 -31.8 66.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.47 8.96 17.15 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.005 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -40.58 89.33 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.821 0.343 . . . . 0.0 110.826 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.28 -55.66 19.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 22.1 t -46.19 -54.15 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 111.558 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -57.1 -30.64 64.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -75.51 -20.26 58.84 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.129 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.95 -51.98 27.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.6 p -61.41 -44.73 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.785 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.421 ' CD1' ' CG ' ' A' ' 89' ' ' PHE . 5.0 tt -59.49 -30.83 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.478 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.439 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.7 tt0 -63.62 -40.92 98.12 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -61.21 -34.21 74.73 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.033 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.44 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.37 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.44 ' CZ ' ' CE ' ' A' ' 124' ' ' MET . 22.7 m-85 -61.63 -38.16 86.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.143 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -39.57 80.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.99 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -35.36 62.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.814 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.421 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 14.3 t80 -59.19 -61.95 2.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.358 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.36 -20.88 66.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.194 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.71 92.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.753 0.311 . . . . 0.0 111.421 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -115.13 -177.45 3.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.27 -37.95 43.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.27 164.35 23.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.3 t -142.67 154.17 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 118.05 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.7 mppt? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.864 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -133.81 35.88 3.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.43 -175.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -113.36 164.25 13.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.005 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -62.49 -16.0 53.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.81 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.82 -32.12 8.09 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.528 0.204 . . . . 0.0 111.404 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.29 -57.88 5.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.788 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.83 -30.61 67.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.877 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -75.51 -39.84 57.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' CD1' ' CG1' ' B' 1912 ' ' ILE . 41.5 tp -72.13 -47.61 49.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.314 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.1 mt -59.19 -40.82 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.155 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -47.46 66.23 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.029 0.442 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.41 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CG ' HD12 ' B' 1912 ' ' ILE . 0.5 OUTLIER -69.55 -35.83 75.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.481 . . . . 0.0 110.031 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -50.33 -38.73 43.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.593 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.92 -30.29 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.667 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -111.15 28.83 8.35 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.71 94.65 3.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 0.0 111.287 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.81 31.2 1.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.22 23.99 8.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.249 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.6 40.29 0.02 OUTLIER Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.116 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 52.99 43.14 32.11 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.837 0.351 . . . . 0.0 111.735 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 117.33 26.83 2.81 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.668 -0.777 . . . . 0.0 113.007 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.1 mt -107.15 132.75 52.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.74 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 tt -123.2 136.6 59.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.175 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.42 141.7 29.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.19 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.487 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.44 -53.15 60.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.44 -42.85 58.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.3 tp -53.0 -39.91 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.692 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -61.6 -51.54 68.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -63.48 -48.13 78.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.489 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.36 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.6 mmt -60.0 -48.28 82.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.9 p -62.27 -38.89 91.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.594 0.235 . . . . 0.0 111.559 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -75.5 -14.22 60.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.409 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.5 pp -115.07 -177.03 3.03 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.319 0.581 . . . . 0.0 112.055 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.91 -132.62 40.24 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.203 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -99.5 40.97 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 61.87 63.73 1.09 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.521 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.81 122.73 3.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.123 0.487 . . . . 0.0 111.911 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -55.49 147.15 18.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.741 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.42 -30.19 68.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.66 -47.46 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.299 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.89 -42.68 94.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.122 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.1 p -66.99 -32.45 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -66.07 -31.28 72.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.333 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.19 -48.06 31.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.363 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 4.1 ptt? -61.68 -44.79 96.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.795 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.2 pt -66.79 -40.25 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.22 64.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.351 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -95.17 -4.71 45.53 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.22 -51.23 10.51 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.64 0.257 . . . . 0.0 111.551 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.01 -66.65 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.733 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.8 mm 67.42 73.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.935 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.45 138.58 36.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.39 -103.41 0.41 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.555 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -132.0 -46.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.362 . . . . 0.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -137.78 64.15 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.617 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -149.86 116.2 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 18.6 mt -141.25 106.18 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -69.57 120.21 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.299 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.422 ' CE2' ' HA2' ' A' ' 98' ' ' GLY . 1.5 p90 -71.12 -7.87 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.58 -43.41 80.66 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.904 0.383 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.95 -36.17 59.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.427 ' CE2' ' CE ' ' A' ' 145' ' ' MET . 49.3 t80 -66.59 -49.48 66.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.002 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.7 p -68.39 -36.21 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -64.88 -53.49 45.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.416 ' HE2' ' CE1' ' B' 1919 ' ' TYR . 0.0 OUTLIER -68.8 -31.81 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.23 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.427 ' CE ' ' CE2' ' A' ' 141' ' ' PHE . 34.0 ttm -61.26 -45.87 92.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.2 m -91.44 -29.14 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.86 30.19 3.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.7 mttp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.989 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.854 0.359 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -92.21 -36.19 13.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 2.6 tttm 60.3 107.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -86.85 42.62 1.03 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.882 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -71.07 -59.66 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.717 0.294 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.4 -52.72 58.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.647 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 15.4 m -50.01 -48.03 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.788 0.328 . . . . 0.0 111.536 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 24.1 p -57.84 -32.55 67.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.155 0.502 . . . . 0.0 110.019 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -75.8 -27.33 57.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.934 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.8 mt -61.04 -51.34 74.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 110.204 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -64.03 -39.19 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.452 HD12 ' CG ' ' A' ' 89' ' ' PHE . 1.2 tt -61.05 -32.84 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.341 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -65.11 -40.83 95.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.496 178.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.8 72.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.024 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.61 93.93 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.341 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 16.6 m-85 -58.38 -34.27 70.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.482 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.223 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -73.1 -31.37 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.351 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 9.9 t80 -56.96 -61.8 2.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.85 -27.69 68.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.13 78.56 0.95 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.744 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 132.14 49.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.815 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 62.17 85.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.779 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 12.6 mttp -58.38 117.71 4.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 12.2 p 32.33 78.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 8.9 tttt -57.5 151.01 17.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.863 0.364 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.83 33.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -63.05 -178.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -113.01 165.92 11.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.34 -22.41 30.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.714 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -91.57 -58.71 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 111.264 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.74 -57.23 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.642 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.95 -44.51 74.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.6 -44.2 57.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.756 0.312 . . . . 0.0 111.32 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.415 HD11 ' CE2' ' A' ' 89' ' ' PHE . 15.5 tp -61.29 -46.19 91.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.009 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.4 mt -61.98 -40.26 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.28 -41.12 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.786 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.54 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.415 ' CE2' HD11 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.22 -35.8 82.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.503 179.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -38.21 56.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.597 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.52 -26.25 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.921 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -106.08 27.95 8.12 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.393 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -81.93 114.11 20.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.807 0.337 . . . . 0.0 110.707 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -117.48 -14.58 10.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.018 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.409 ' N ' ' HD3' ' A' ' 94' ' ' ARG . 1.8 t70 -83.43 -24.97 31.66 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.746 0.308 . . . . 0.0 110.954 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.51 -48.93 0.95 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -78.02 -35.82 49.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 136.79 45.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.612 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.4 mp -115.42 152.24 33.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 tt -140.2 125.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 139.14 55.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.193 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.7 71.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.4 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.28 -53.26 58.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -76.47 -38.78 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.24 -38.46 68.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.324 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -60.65 -51.65 68.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.186 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.447 ' CD2' ' ND2' ' A' ' 111' ' ' ASN . 11.4 t60 -63.7 -45.11 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.57 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.28 -63.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -43.96 95.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.405 ' HA ' ' HB3' ' A' ' 116' ' ' LEU . 77.2 p -63.95 -53.97 41.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.608 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' ND2' ' CD2' ' A' ' 107' ' ' HIS . 9.2 m-80 -60.57 -17.93 49.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.689 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 113' ' ' GLY . 3.9 pp -110.73 -175.6 2.76 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.604 0.716 . . . . 0.0 112.351 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.403 ' N ' ' CD1' ' A' ' 112' ' ' LEU . . . 62.24 -136.81 45.41 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.582 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -96.81 43.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? 61.45 62.74 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.69 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 110' ' ' THR . 0.6 OUTLIER -46.8 128.59 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.827 -179.012 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -63.61 146.57 53.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.586 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.36 -29.18 66.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -70.88 -47.66 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.83 -41.03 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.54 -32.63 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.107 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.82 -28.8 67.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.35 -47.46 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 111.419 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 4.1 ptt? -61.14 -45.26 95.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.709 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.7 pt -66.53 -39.84 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.978 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.361 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -92.4 -4.88 53.09 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 141' ' ' PHE . . . -78.67 -52.7 8.04 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.704 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.81 -66.85 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.026 0.441 . . . . 0.0 110.547 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.4 mt 58.95 88.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.005 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.73 95.09 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 119.75 21.34 3.59 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.224 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 57.37 36.65 27.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.821 0.311 . . . . 0.0 111.355 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 135' ' ' HIS . . . 147.69 53.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.697 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.403 ' CD2' ' OD2' ' A' ' 95' ' ' ASP . 24.4 m80 -160.01 107.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 110.384 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.409 ' CG2' ' CB ' ' A' ' 128' ' ' ALA . 25.5 mt -131.75 113.8 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.732 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -73.71 128.68 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.429 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 1.8 p90 -80.53 1.96 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -87.21 -44.62 11.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.923 0.392 . . . . 0.0 110.491 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.29 -35.59 58.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.612 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.458 ' CE2' ' CE ' ' A' ' 145' ' ' MET . 60.5 t80 -64.15 -49.29 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.814 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.7 p -68.28 -32.91 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 0.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -67.32 -53.28 31.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.98 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.35 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.458 ' CE ' ' CE2' ' A' ' 141' ' ' PHE . 15.5 ttm -63.15 -34.13 76.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 13.2 p -103.22 -24.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.652 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.6 t -93.28 22.32 5.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.224 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 6.8 mmtp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -178.85 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.99 124.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -58.81 -23.01 59.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.367 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -59.09 -61.08 2.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.609 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -53.74 -58.95 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.91 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 10.9 m -44.61 -50.04 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 56.8 p -59.51 -34.78 73.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.204 0.525 . . . . 0.0 109.789 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -72.24 -26.7 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.803 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.4 mt -62.85 -51.88 66.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.5 p -62.18 -36.01 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.636 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.401 ' CG1' ' CD1' ' A' ' 85' ' ' LEU . 2.0 tt -65.16 -33.39 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.448 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.0 OUTLIER -62.92 -36.3 82.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.487 178.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.33 80.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.801 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.79 94.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.723 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.7 m-85 -59.82 -37.86 80.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -59.39 -45.68 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.572 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -31.63 67.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.439 ' CD1' ' CG ' ' A' ' 145' ' ' MET . 15.1 t80 -58.5 -51.64 69.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.535 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 6.2 mt -82.21 -38.12 25.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.929 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.1 76.27 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 22.6 mttp -148.78 76.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.687 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -81.12 150.83 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -165.8 -44.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.687 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t -148.72 94.57 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.014 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 10.0 tttm -59.83 -34.89 73.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.854 0.359 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -120.82 -76.96 0.58 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -179.54 177.28 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.757 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -138.94 24.41 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.233 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.46 -27.45 62.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.298 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -99.48 -51.36 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.034 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.86 -53.6 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.889 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.71 -46.43 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.842 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.5 -50.42 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.708 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -54.57 -51.22 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.52 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.6 mt -56.96 -40.73 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.84 84.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -64.87 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.71 -40.3 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.698 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.2 t -63.25 -27.7 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.015 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -103.07 29.23 5.63 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -62.26 156.56 21.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -134.06 -66.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.36 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.72 -49.77 0.82 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.385 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.29 -43.81 95.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.773 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 147.76 62.79 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.678 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.39 162.87 32.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.695 0.283 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.2 tt -144.92 146.94 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 t -88.28 134.88 33.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.32 66.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.514 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.63 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.356 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.77 -40.03 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.3 tp -53.32 -40.29 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.537 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -62.17 -51.46 67.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.121 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -64.26 -44.82 90.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.73 -60.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 0.0 111.767 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.91 -48.26 82.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.297 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.8 p -65.03 -45.26 86.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 111.654 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.03 -18.31 65.19 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.74 178.42 4.41 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 121.626 0.727 . . . . 0.0 112.593 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.16 -130.25 16.08 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -100.39 38.65 1.46 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 62.14 62.83 1.15 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.409 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.19 121.86 3.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.937 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -54.06 144.25 19.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.798 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.1 -47.79 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.201 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.73 -39.92 86.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.004 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.2 p -71.61 -32.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -65.73 -33.64 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.327 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.69 -51.98 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 4.0 ptt? -55.08 -39.11 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.688 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.0 pt -74.02 -32.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.899 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.35 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -28.39 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.411 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -58.7 -51.56 69.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.551 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t70 177.25 -59.68 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.458 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.1 tt 45.05 42.05 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.179 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -74.33 -162.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.539 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -54.39 152.41 11.71 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.883 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.21 22.92 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.608 0.242 . . . . 0.0 111.411 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 54.5 21.64 21.42 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.358 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -72.4 138.17 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.882 0.341 . . . . 0.0 110.629 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.8 mt -139.99 102.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.7 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.03 126.6 30.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.44 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 1.5 p90 -80.33 2.55 24.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 -39.35 15.42 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.925 0.393 . . . . 0.0 110.339 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.58 -41.19 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.268 0.556 . . . . 0.0 109.54 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 32.8 t80 -61.09 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.124 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.4 p -68.25 -34.23 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 147' ' ' SER . 3.8 mtt180 -62.11 -54.91 34.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.369 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 2.2 ptm -66.67 -31.96 72.97 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.214 0.321 . . . . 0.0 111.1 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.9 ttm -58.2 -31.91 67.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.953 0.406 . . . . 0.0 110.727 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.6 m -111.47 -14.15 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.843 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 143' ' ' ARG . 32.0 m -97.09 31.45 2.42 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.757 0.313 . . . . 0.0 111.269 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.1 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.833 179.817 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 25.3 tttp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.658 0.266 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -127.89 133.7 49.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.957 0.408 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -76.75 160.35 29.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.11 -30.85 23.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.58 -52.75 28.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.384 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.6 -50.67 69.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.6 m -53.92 -41.39 48.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.798 0.333 . . . . 0.0 111.433 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 16.0 m -57.95 -35.31 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.017 0.437 . . . . 0.0 110.308 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.26 -24.05 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.916 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.92 -56.91 14.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.245 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.8 p -60.7 -45.0 98.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.638 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.415 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -57.39 -32.05 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.235 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.419 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.6 tt0 -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.734 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -61.76 -33.41 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.313 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.68 99.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.57 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.1 m-85 -59.84 -39.32 84.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.493 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -57.59 -43.8 84.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -72.17 -32.78 67.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.263 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 12.7 t80 -60.4 -56.64 18.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.279 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -30.15 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 11.3 mt -70.94 161.0 31.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 9.3 pttt -177.86 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -62.94 -31.92 73.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 4.6 mttt -117.26 97.1 5.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -133.43 -46.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 1.6 mttt 60.38 31.14 20.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 6.9 tttm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.869 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.847 0.356 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -150.64 74.56 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -106.31 -176.55 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -129.19 31.5 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -70.57 -44.78 66.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m -59.79 -47.25 86.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.61 -57.24 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.09 -43.89 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.391 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.8 -49.91 59.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.281 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD23 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -56.09 -50.68 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.4 mt -58.02 -34.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -73.19 -45.8 54.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.443 . . . . 0.0 110.594 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.088 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE2' HD23 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -68.44 -35.88 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 0.0 110.65 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.65 -36.94 57.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.568 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.35 -27.79 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.029 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -103.05 29.01 5.76 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -77.86 115.24 17.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.772 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -109.99 -44.34 3.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.173 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -29.41 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.49 -55.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.42 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -66.25 -50.1 64.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.45 43.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.659 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 mt -119.6 148.09 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.7 tt -132.25 132.92 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -74.1 133.16 42.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.6 71.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.351 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.93 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.429 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -77.96 -38.73 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.4 tp -55.1 -39.37 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -51.35 69.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.306 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.17 -42.67 99.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.593 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.2 t -56.55 -63.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.975 0.417 . . . . 0.0 111.877 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -48.27 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.148 -178.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -63.12 -30.89 71.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 111.523 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.78 -18.87 55.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.551 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.404 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 1.4 pp -119.55 -177.96 3.5 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.607 0.718 . . . . 0.0 112.49 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 69.95 -129.33 21.1 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.38 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.58 38.1 1.58 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt 61.7 62.44 1.29 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.376 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.0 115.57 0.92 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.115 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.4 p -56.31 151.26 13.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.528 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -31.16 69.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.77 -49.4 70.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.73 -49.83 74.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.33 -31.9 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -69.36 -31.18 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.555 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.72 -52.37 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 111.709 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -37.43 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.958 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 13.9 pt -74.27 -44.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -42.41 99.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.191 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -19.42 54.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.798 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -62.13 -52.0 65.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.612 0.244 . . . . 0.0 111.608 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.24 -54.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.782 0.325 . . . . 0.0 110.505 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.5 pt 45.37 39.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.112 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.69 142.82 51.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.74 -150.27 49.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.61 -60.75 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -159.98 62.24 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -119.48 114.64 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.732 0.301 . . . . 0.0 110.719 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 23.5 mt -126.06 111.57 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.43 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -74.99 128.1 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.74 0.89 28.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.08 -42.1 12.61 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 120.992 0.425 . . . . 0.0 110.31 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.37 -36.96 57.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.535 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 51.0 t80 -64.67 -48.08 76.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.773 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.65 -33.49 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -74.05 -39.82 63.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.763 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -31.71 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.421 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -79.06 -31.56 44.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.618 0.247 . . . . 0.0 111.101 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.8 m -91.17 -29.8 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.78 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 30.33 5.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.795 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 108.22 19.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 14.1 mmtt 60.88 34.35 19.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 -40.16 23.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.778 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -70.07 -36.98 75.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.019 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.98 -57.03 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 11.2 p -53.78 -40.21 42.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.369 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 3.0 m -58.36 -36.36 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.404 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -74.33 -26.73 60.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.9 mt -62.52 -55.16 25.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.2 p -59.98 -39.11 79.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.405 HD11 ' CE1' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -60.91 -32.74 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.187 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -63.04 -42.98 99.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.55 178.699 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -32.89 70.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.365 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.54 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.507 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.4 m-85 -57.77 -38.33 75.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -58.0 -46.86 84.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.562 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.37 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 145' ' ' MET . 2.3 t80 -61.44 -58.36 8.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.1 -47.17 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.497 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.67 175.73 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.169 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 5.0 pttp -176.79 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -121.97 39.91 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 9.6 mtpp 60.09 75.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 59.4 t 49.29 96.18 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.747 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -153.76 176.54 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.793 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.743 0.306 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -141.51 -68.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.77 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.48 165.68 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.727 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 174.5 -33.52 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.4 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.33 -26.42 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.014 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m -105.89 -57.64 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.342 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.79 -57.56 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.666 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -61.56 -35.63 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.665 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.49 -49.36 19.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 0.0 111.358 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 89' ' ' PHE . 22.7 tp -60.36 -41.64 94.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.96 -37.21 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.604 0.24 . . . . 0.0 110.987 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.86 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -53.09 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.726 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -62.81 -35.18 79.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.184 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -38.29 37.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.11 -22.01 22.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.635 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.13 29.89 7.38 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -52.99 -82.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 80.07 -47.95 0.33 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.944 0.898 . . . . 0.0 111.912 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.405 ' OD2' ' CD2' ' A' ' 135' ' ' HIS . 10.0 t70 -62.62 -30.0 71.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.791 0.329 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.09 -54.58 0.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.319 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -77.16 -41.09 43.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.349 . . . . 0.0 110.792 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 145.44 45.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.687 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.1 mp -122.24 147.01 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 tt -124.51 150.0 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.9 t -88.44 134.12 33.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.989 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.91 80.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.291 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.62 72.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.39 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -76.4 -38.1 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.2 tp -59.43 -29.29 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -67.93 -51.61 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.264 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.14 -45.78 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.46 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.95 -61.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.5 mmt -61.53 -48.36 81.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.229 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.2 p -64.07 -34.2 77.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.706 0.288 . . . . 0.0 111.357 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -76.06 -16.82 59.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.611 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.407 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.5 pp -115.79 -176.75 3.0 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.262 0.553 . . . . 0.0 111.961 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.39 -133.23 35.83 Favored Glycine 0 C--N 1.335 0.51 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.28 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -99.36 41.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm 61.89 63.72 1.09 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.618 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.53 116.83 1.4 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.042 0.448 . . . . 0.0 111.987 -178.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -59.4 137.68 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.87 -27.19 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.342 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.01 -48.03 69.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.14 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.34 -34.23 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.244 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.1 t -79.31 -32.52 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.04 -30.74 65.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.18 -40.55 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -70.9 -33.99 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.69 -179.242 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 pt -74.34 -37.27 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -28.46 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.22 -21.72 20.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.68 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.28 70.26 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.4 t0 178.42 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.5 mm 66.44 65.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.805 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -113.99 130.43 56.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.993 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.41 7.12 63.34 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.294 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.87 77.23 0.27 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.305 0.552 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 139.17 -22.43 2.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.941 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.405 ' CD2' ' OD2' ' A' ' 95' ' ' ASP . 16.6 m170 -112.06 121.15 44.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 24.6 mt -137.05 102.76 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.95 128.6 37.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -85.05 7.79 20.2 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -89.44 -39.22 13.52 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.024 0.44 . . . . 0.0 110.16 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.48 -37.75 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.466 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 42.2 t80 -65.51 -48.09 73.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.766 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.99 -34.25 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.556 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -44.68 59.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.775 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -31.67 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -28.1 44.63 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.41 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.63 -24.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.664 0.268 . . . . 0.0 111.519 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.0 t -95.73 38.69 1.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.804 0.335 . . . . 0.0 111.063 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.3 tttt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.8 179.847 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.797 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -102.27 120.78 41.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.58 68.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.44 15.54 5.35 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.192 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -54.73 -41.84 70.83 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.742 0.306 . . . . 0.0 111.303 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.97 -46.91 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -51.08 -51.41 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 111.253 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.44 -29.62 66.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.407 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -74.08 -24.08 59.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.019 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.45 -52.01 32.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.549 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.57 -42.04 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.804 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.5 tt -60.96 -32.35 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.152 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.425 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.2 tt0 -62.91 -37.86 88.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.596 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -62.98 -35.28 79.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.973 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.93 97.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.533 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.9 m-85 -59.9 -40.58 89.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -60.61 -43.41 97.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -69.73 -32.69 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.252 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.4 -60.74 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.84 -32.38 72.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.61 -174.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.37 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.59 168.72 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 18.9 pttp -98.78 36.76 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.0 p -72.35 110.23 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.028 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 14.4 tptt -69.41 136.16 51.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.2 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.96 0.409 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.55 -40.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.18 -168.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -169.6 58.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.682 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.29 -12.5 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.028 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -30.82 9.52 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.643 0.258 . . . . 0.0 111.376 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -57.31 4.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -70.35 -31.01 68.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.94 -46.33 36.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 111.49 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.409 ' CD1' ' CG1' ' B' 1912 ' ' ILE . 47.1 tp -64.97 -48.87 72.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.323 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.7 mt -59.61 -40.15 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.626 0.25 . . . . 0.0 111.023 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -70.9 -44.23 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 110.742 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.69 95.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CZ ' HD12 ' B' 1912 ' ' ILE . 1.0 OUTLIER -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.622 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -52.61 -37.62 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.573 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.3 -26.46 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.004 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -107.82 29.15 7.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -60.62 141.95 56.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -95.24 -80.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.08 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -176.57 37.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.824 0.345 . . . . 0.0 111.161 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.42 37.9 1.86 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.367 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 t30 63.3 28.03 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 110.954 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . 120.45 44.89 0.41 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.834 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.7 mp -109.79 150.3 28.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.313 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 tt -141.47 133.67 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 t -80.69 133.3 35.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.89 -32.89 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.24 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -53.03 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -77.55 -41.86 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.788 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.2 tp -53.13 -29.74 32.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.48 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -68.18 -51.78 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -65.73 -38.23 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.68 -64.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -48.23 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.114 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.6 p -60.95 -43.56 98.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 111.477 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.23 -18.19 64.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.637 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.401 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.5 pp -113.5 -177.52 3.15 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.545 0.688 . . . . 0.0 112.174 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.9 -136.03 35.39 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.364 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -98.06 43.18 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 61.68 63.66 1.13 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.76 118.08 1.7 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.009 0.433 . . . . 0.0 111.901 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -57.1 149.56 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.579 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.52 -26.46 64.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.365 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.91 -39.63 69.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.718 0.294 . . . . 0.0 111.351 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -72.38 -40.84 66.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.362 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.8 p -67.23 -32.44 57.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.16 -42.67 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -44.31 96.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.41 ' HE1' ' CZ ' ' B' 1916 ' ' TYR . 4.1 ptt? -68.44 -46.34 70.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.4 pt -63.76 -35.23 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -35.05 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.048 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.58 -4.68 59.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.089 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.41 ' CB ' ' CG2' ' A' ' 136' ' ' ILE . . . -79.31 -51.5 9.35 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -178.4 -68.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.746 0.308 . . . . 0.0 111.007 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.1 mm 58.17 99.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -176.97 133.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.344 . . . . 0.0 111.238 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.09 100.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.816 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.0 t70 56.27 29.62 15.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.773 0.32 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.84 23.65 65.75 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.72 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -65.41 135.43 55.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.669 0.271 . . . . 0.0 110.575 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.41 ' CG2' ' CB ' ' A' ' 128' ' ' ALA . 14.9 mt -135.61 120.42 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.762 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.28 129.68 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.984 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.446 ' CE2' ' CA ' ' A' ' 98' ' ' GLY . 2.2 p90 -83.86 7.39 18.22 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -89.29 -42.67 11.46 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.087 0.47 . . . . 0.0 110.447 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -76.96 -36.77 56.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.416 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.878 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.59 -33.77 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -72.67 -44.21 62.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.751 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -32.02 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -76.46 -31.01 57.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.651 0.262 . . . . 0.0 111.578 -179.309 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 14.6 p -95.81 -35.14 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.1 24.5 5.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.926 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.879 0.371 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.77 174.03 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -96.86 39.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.55 -18.82 54.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.539 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -54.28 -65.59 0.55 Allowed 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.673 0.273 . . . . 0.0 111.503 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -31.28 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 42.8 t -61.19 -63.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.999 0.428 . . . . 0.0 110.253 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.14 -24.51 54.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.401 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -81.75 -23.2 36.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.554 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1910 ' ' ILE . . . . . 0.409 HG23 ' N ' ' B' 1911 ' ' VAL . 0.2 OUTLIER -74.41 -36.78 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.459 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B 1911 ' ' VAL . . . . . 0.409 ' N ' HG23 ' B' 1910 ' ' ILE . 9.3 p -73.52 -41.59 56.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.421 HD12 ' CZ ' ' A' ' 89' ' ' PHE . 2.1 tt -60.68 -30.94 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.445 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 2.5 tt0 -66.61 -43.34 85.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -32.72 71.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.025 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.25 99.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.52 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.3 m-85 -60.15 -34.92 74.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.078 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -39.95 93.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.949 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -74.57 -35.72 63.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.195 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 145' ' ' MET . 3.7 t80 -60.37 -51.24 70.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.177 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -48.71 62.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 34.2 mt -72.76 167.01 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.77 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -131.27 166.53 20.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.02 80.21 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.7 mttt -63.72 -168.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 86.2 t 51.22 94.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.467 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 40.9 mttt -132.11 117.43 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 4.4 tptt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.972 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.849 0.356 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.5 -73.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.05 171.93 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -127.63 0.0 6.15 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.123 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.89 -30.61 69.12 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.752 0.31 . . . . 0.0 111.221 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m -109.31 -49.79 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.234 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -54.31 -57.19 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.852 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.01 -46.4 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 111.552 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -60.78 -49.97 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.421 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -55.83 -54.04 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.417 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mt -54.04 -38.62 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.203 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -71.4 -45.42 62.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.974 0.416 . . . . 0.0 110.667 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.9 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.24 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.421 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.01 -35.99 82.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -54.15 -37.44 64.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.6 t -59.02 -28.61 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.153 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -109.7 28.85 8.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.43 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.27 120.52 16.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.689 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -115.07 -47.0 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.243 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -34.03 71.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.045 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.95 -55.13 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.543 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.59 -32.22 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.718 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.35 43.84 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.623 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 mp -123.48 158.6 30.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.0 tt -138.7 142.64 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 135.92 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.93 -42.75 72.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -52.82 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.85 -38.42 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.5 tp -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -61.19 -51.76 67.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -60.49 -42.17 95.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.693 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.1 t -58.92 -65.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.913 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -41.77 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.4 p -67.48 -29.87 69.42 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.187 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.33 -16.49 52.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.622 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 pp -116.31 -176.46 2.96 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 0.0 111.844 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.77 -135.44 32.84 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.88 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -99.99 43.02 1.08 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt 62.12 64.17 1.01 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.469 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.2 130.55 10.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.875 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.04 151.32 47.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.341 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -29.64 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.987 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -47.96 66.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.6 p -80.67 -32.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -72.48 -32.2 66.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -35.9 42.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.428 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -33.67 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.506 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 pt -74.67 -36.97 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.355 . . . . 0.0 111.346 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -32.42 72.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.734 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.54 -12.49 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.716 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB3' ' CD1' ' A' ' 141' ' ' PHE . . . -71.93 -52.32 17.8 Favored 'General case' 0 C--N 1.334 -0.081 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 178.07 -61.33 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.499 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 36.5 pt 43.69 60.51 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.301 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -119.54 172.2 7.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.979 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.45 -123.13 32.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.17 36.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.773 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.4 21.56 47.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.768 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -77.93 136.77 38.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.728 0.299 . . . . 0.0 110.493 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.5 mt -135.34 103.34 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.674 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -69.07 121.76 17.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.492 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -72.57 -6.62 45.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -81.04 -43.09 20.08 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.466 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -74.24 -38.26 63.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 109.85 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 128' ' ' ALA . 36.3 t80 -60.52 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.994 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.08 -36.1 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -57.96 -53.49 57.64 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -32.65 65.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.407 ' CG ' ' CD1' ' B' 1919 ' ' TYR . 5.8 ttm -57.94 -29.42 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 34.9 m -116.08 -40.77 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.906 0.384 . . . . 0.0 111.415 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.77 16.46 14.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.649 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.037 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 4.0 mptt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.67 135.1 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.003 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -109.12 122.66 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.785 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -31.48 30.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.04 -51.63 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.308 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -56.51 -44.51 80.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.2 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.4 t -48.85 -53.02 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.169 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -28.63 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.189 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.3 -29.88 63.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.129 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.91 -53.25 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.736 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.2 p -57.26 -42.15 79.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.414 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -59.75 -33.28 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.088 0.47 . . . . 0.0 110.377 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.406 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.5 OUTLIER -63.56 -39.01 93.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.736 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.329 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.12 96.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.482 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.6 m-85 -58.11 -53.65 55.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.172 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -56.9 -34.58 68.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -33.57 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.804 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.407 ' CD1' ' CG ' ' A' ' 145' ' ' MET . 22.4 t80 -65.35 -47.38 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.371 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 mp -71.71 -29.41 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.23 -92.06 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.793 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 36.2 mttm 43.98 29.71 0.35 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.49 -74.41 0.57 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.149 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.5 pttm -77.31 68.5 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.082 0.467 . . . . 0.0 111.067 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t -100.34 -32.67 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.78 -80.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 28.8 mttt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.86 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.92 -63.22 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.694 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 59.06 172.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -176.93 37.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.9 -31.36 70.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.985 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m -102.13 -46.38 4.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.193 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -57.06 -57.17 13.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.539 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.64 -43.61 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.684 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.87 -49.56 65.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.636 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.422 HD22 ' CE2' ' A' ' 89' ' ' PHE . 2.6 tm? -56.49 -51.34 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.397 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.7 mt -54.85 -41.38 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.338 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -73.28 -43.78 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.939 0.399 . . . . 0.0 110.818 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.8 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.236 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.422 ' CE2' HD22 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -70.23 -35.37 73.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 110.66 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -42.3 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.934 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 t -60.61 -30.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.851 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -106.32 28.85 7.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.18 -95.3 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 54.19 20.97 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.77 -19.69 18.03 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.052 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.89 -79.1 0.2 Allowed Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.186 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.19 -30.34 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.807 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.436 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 168.51 52.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.252 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 mp -121.06 165.81 14.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 111.633 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.46 156.81 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -92.31 139.68 30.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.89 -47.44 59.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -48.46 81.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.27 -41.44 73.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.21 -39.52 86.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -58.82 -51.3 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.259 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -62.41 -49.22 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.6 t -55.47 -58.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.952 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mmt -60.35 -47.98 83.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.167 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -65.2 -38.1 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 111.593 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.84 -15.69 61.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.405 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.3 pp -117.26 -176.18 2.95 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.351 0.596 . . . . 0.0 112.231 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.33 -132.08 35.65 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.408 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.32 40.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.41 61.93 1.2 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.525 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.92 119.53 2.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.972 -179.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.1 p -56.88 150.27 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.486 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.38 -30.26 68.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -70.03 -49.1 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.346 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.92 -44.66 94.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.59 -33.01 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.92 -34.05 77.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.274 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -71.07 -51.41 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.192 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.2 ptm -58.91 -45.59 89.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.836 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.3 pt -66.14 -29.83 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -40.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.68 -4.87 58.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.089 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.422 ' HA ' ' CD1' ' A' ' 141' ' ' PHE . . . -78.5 -51.33 10.14 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.06 -46.82 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.1 pt 38.92 -89.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.31 170.94 0.28 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -58.42 -42.06 95.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.702 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -30.57 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.19 -18.3 57.64 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.026 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -62.36 153.71 30.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.823 0.312 . . . . 0.0 110.643 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 13.1 mt -146.13 111.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.669 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -78.04 122.07 25.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.276 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.436 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 0.8 OUTLIER -75.05 -3.86 35.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.38 -38.99 15.68 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.9 0.381 . . . . 0.0 110.353 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.56 -36.95 57.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.756 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 12.6 t80 -65.6 -49.01 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.893 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.66 -33.04 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.685 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.51 -54.04 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -31.29 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.793 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.403 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 9.6 ttm -61.56 -40.53 95.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.37 -29.73 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.533 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 t -98.58 35.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.994 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -52.49 47.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -139.68 166.47 24.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -70.57 64.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 111.242 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.89 -53.61 20.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.95 -43.79 77.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 23.1 t -52.88 -50.74 42.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.263 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.7 m -57.26 -30.55 64.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.49 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.405 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -72.97 -27.36 61.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.98 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 22.1 mt -66.6 -53.27 37.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.737 0.304 . . . . 0.0 110.687 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -58.58 -39.62 76.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.816 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.422 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -60.68 -34.68 59.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.368 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.43 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -62.54 -39.63 94.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.705 178.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -61.12 -33.36 73.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.148 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.93 87.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 11.1 m-85 -58.19 -35.32 71.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -59.87 -46.93 87.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.493 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.48 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.469 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.403 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 24.2 t80 -58.59 -62.81 1.58 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.62 -30.76 68.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.22 65.52 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.739 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.9 -177.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.02 -166.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.64 119.91 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -99.56 -37.32 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.97 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.38 36.65 3.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.3 mtpt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.949 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.6 mmt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.93 101.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -178.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -112.31 -177.7 3.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.97 -22.28 66.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.541 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -101.66 -45.82 5.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.632 0.253 . . . . 0.0 111.509 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.57 -57.31 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.15 -45.94 62.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.542 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.407 HD12 ' CE2' ' A' ' 89' ' ' PHE . 20.9 tp -60.13 -48.51 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.5 mt -60.54 -39.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 110.8 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.42 73.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.428 ' CZ ' HD12 ' B' 1912 ' ' ILE . 0.6 OUTLIER -64.23 -35.91 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.201 0.524 . . . . 0.0 110.472 179.528 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -38.72 58.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.735 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 18.9 t -59.2 -31.17 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.789 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -102.49 29.12 5.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -85.42 93.24 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.575 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -19.13 11.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.851 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -38.95 78.66 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.826 0.346 . . . . 0.0 111.101 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.69 -69.02 0.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -76.48 -35.75 58.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.774 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.5 43.87 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.693 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mp -117.65 166.63 12.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.978 0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 tt -144.18 150.03 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.83 135.21 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.85 -33.31 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.261 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.3 59.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -38.47 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.88 -33.14 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -50.55 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -65.0 -43.4 92.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.29 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.5 t -58.79 -59.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.632 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmt -60.78 -48.35 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.075 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.2 p -62.77 -47.93 81.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -63.13 -17.85 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.807 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp -117.55 -175.62 2.85 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.456 0.646 . . . . 0.0 112.285 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.7 -134.09 32.49 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.278 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -99.1 41.96 1.12 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm 61.83 62.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.624 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.33 117.94 1.97 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.822 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -56.84 152.66 12.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.516 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.53 -28.98 66.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.304 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.34 -47.97 45.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.27 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.12 -41.88 93.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.222 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.25 -32.8 57.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -40.07 79.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.605 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.29 -52.11 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.456 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.419 ' HE3' ' CE2' ' B' 1916 ' ' TYR . 4.4 ptt? -60.16 -50.51 73.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.88 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.8 pt -58.77 -27.48 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 0.0 111.62 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -42.83 62.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.04 -4.77 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.859 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 141' ' ' PHE . . . -70.11 -52.01 27.11 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 176.52 -63.85 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.982 0.42 . . . . 0.0 110.332 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.3 pt 38.85 45.44 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.755 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -55.73 -56.71 17.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.485 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -95.86 31.0 7.66 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.662 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.21 28.85 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -167.76 -57.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.437 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -67.11 133.74 50.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 110.474 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 23.6 mt -139.68 113.01 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 111.673 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -79.67 125.38 29.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -76.71 -0.99 25.68 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -87.17 -40.7 14.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.257 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.43 -36.27 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 8.9 t80 -65.3 -48.15 74.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.904 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.3 p -67.95 -36.21 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -59.16 -53.07 62.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -31.83 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.625 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.428 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 1.7 ttp -58.39 -39.26 79.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 111.201 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.5 m -104.31 -29.07 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.385 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.2 t -106.8 39.24 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 13.7 tttm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.026 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 4.9 tttp . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -108.15 -42.42 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.58 138.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -70.34 71.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.732 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.7 -54.43 13.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.607 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -37.65 77.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.27 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 37.5 t -58.77 -60.86 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -55.01 -24.46 24.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -78.54 -27.91 46.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.66 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1910 ' ' ILE . . . . . 0.419 HG21 ' N ' ' B' 1911 ' ' VAL . 0.1 OUTLIER -74.67 -34.98 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.784 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1911 ' ' VAL . . . . . 0.419 ' N ' HG21 ' B' 1910 ' ' ILE . 8.3 p -70.66 -38.75 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.428 HD12 ' CZ ' ' A' ' 89' ' ' PHE . 3.0 tt -63.23 -32.85 57.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.837 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.439 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 5.6 tt0 -62.7 -40.03 95.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.464 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -60.68 -33.75 73.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.041 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.11 -48.3 82.11 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.472 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.439 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.1 m-85 -56.14 -39.27 72.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.699 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -59.4 -39.32 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.203 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -73.06 -34.09 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.428 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 20.3 t80 -58.94 -59.78 4.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.8 mp -64.72 -35.37 80.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.675 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.14 58.97 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.95 37.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -89.27 88.25 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.798 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1924 ' ' LYS . . . . . 0.4 ' O ' ' CG1' ' B' 1925 ' ' VAL . 7.8 tppt? -62.73 -62.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1925 ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' B' 1924 ' ' LYS . 6.9 p 53.36 163.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 O-C-N 123.798 0.687 . . . . 0.0 112.039 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 135.62 54.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.223 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.906 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.5 mtt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.785 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -128.55 -52.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 58.66 -178.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 -173.48 36.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -68.6 -27.53 66.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.233 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m -99.16 -41.68 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -57.3 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.459 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.91 -47.93 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.699 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.4 -48.08 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.464 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.5 tm? -57.51 -49.7 75.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.8 mt -58.39 -40.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.697 0.284 . . . . 0.0 111.162 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -69.91 -47.39 62.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.042 0.448 . . . . 0.0 110.6 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -51.73 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -62.68 -35.83 80.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.326 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -50.89 -42.66 59.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.713 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.2 t -60.61 -26.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.022 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -111.27 26.86 10.24 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.22 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -81.4 -102.63 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.637 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 51.54 23.18 1.76 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.55 -23.05 17.83 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.123 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.5 -62.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.557 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -152.6 28.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.641 0.258 . . . . 0.0 111.056 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.42 41.55 0.53 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.707 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -123.89 165.28 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 89' ' ' PHE . 4.7 tt -144.57 143.23 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.115 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.27 136.95 33.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.08 -35.13 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.282 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.47 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.238 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.13 -36.18 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.28 -37.76 75.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.231 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -51.3 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -63.16 -45.32 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.335 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 23.6 t -56.79 -61.5 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.899 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 13.5 mmt -59.91 -48.26 82.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.4 p -64.39 -40.2 95.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 111.384 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.09 -13.81 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.917 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.402 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.3 pp -117.09 -175.63 2.83 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.398 0.618 . . . . 0.0 112.154 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.47 -134.89 41.96 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.239 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -98.68 43.33 1.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 61.65 61.27 1.48 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.639 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.59 125.37 6.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.016 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 p -61.18 151.93 30.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.399 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -68.97 -31.01 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.946 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -47.42 69.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.87 -39.61 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.36 -32.59 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -72.26 -30.09 64.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -79.64 -36.05 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.631 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.2 OUTLIER -75.29 -33.69 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.688 -179.303 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.6 pt -74.58 -42.99 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.508 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.995 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.68 -25.17 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.315 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HB3' ' CD1' ' A' ' 141' ' ' PHE . . . -58.76 -51.2 70.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.633 0.254 . . . . 0.0 111.413 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.94 -56.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.801 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.3 mm 68.39 -71.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t0 55.71 -167.85 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.59 173.21 45.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.45 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.687 0.279 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 155.01 66.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.577 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -140.94 116.97 10.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.6 mt -119.76 109.33 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.345 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -68.89 127.05 31.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.54 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -82.45 4.91 22.32 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.2 -39.49 13.51 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.62 -41.4 46.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.419 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.446 ' CE2' ' CE ' ' A' ' 145' ' ' MET . 45.6 t80 -63.44 -46.49 86.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.942 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.402 ' HA ' ' HG2' ' A' ' 145' ' ' MET . 8.7 p -66.37 -34.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -70.2 -41.98 72.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.887 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.451 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.8 ptm -71.44 -33.54 69.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.446 ' CE ' ' CE2' ' A' ' 141' ' ' PHE . 13.1 ptp -69.58 -35.34 75.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 30.0 m -93.4 -44.34 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.8 -3.95 58.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.965 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -60.33 153.88 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.84 106.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -35.64 24.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.77 -47.58 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.673 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.44 -54.59 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.4 p -48.82 -41.19 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 111.294 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.5 m -61.42 -36.01 79.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.307 0.575 . . . . 0.0 109.568 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.402 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -73.22 -26.22 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.606 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.95 -51.49 72.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 120.703 0.287 . . . . 0.0 110.315 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.3 p -64.22 -36.83 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.869 0.366 . . . . 0.0 110.332 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.412 ' CG1' ' CD2' ' A' ' 85' ' ' LEU . 1.1 tt -63.21 -33.63 62.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.91 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.425 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -64.0 -40.58 96.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.537 178.761 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -33.69 74.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.849 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.126 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.1 m-85 -61.72 -36.29 80.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.992 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -59.47 -43.31 93.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.36 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -74.14 -29.13 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.331 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.451 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 6.2 t80 -63.61 -43.77 95.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.256 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -51.02 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.024 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.76 -63.63 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 4.4 ttpp 63.33 152.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.5 129.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.5 tttp -154.77 83.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.01 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -96.77 100.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 22.6 mttp 61.94 115.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 9.6 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.829 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.793 0.33 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.8 93.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.46 176.96 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -146.38 32.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -63.15 -28.02 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.533 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -102.27 -32.62 9.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.325 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -61.45 -56.93 14.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.248 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -70.12 -29.67 66.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.367 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.69 -50.28 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.194 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 89' ' ' PHE . 28.4 tp -59.98 -49.0 79.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.175 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.7 mt -59.66 -38.51 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.937 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.54 -46.35 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.414 . . . . 0.0 110.813 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.68 92.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' B' 1912 ' ' ILE . 0.7 OUTLIER -65.5 -35.55 81.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.116 0.484 . . . . 0.0 110.436 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -39.97 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.424 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.38 -29.02 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.71 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -103.21 29.38 5.59 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -80.24 116.88 20.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.778 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -112.69 -36.84 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.722 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -63.39 -28.08 69.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.5 -48.05 1.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.41 -43.49 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.423 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 148.77 46.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.71 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mp -125.66 153.73 43.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.725 0.298 . . . . 0.0 110.769 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.7 tt -135.59 142.23 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.271 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.21 135.45 36.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.16 -40.29 71.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.216 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.98 -53.07 62.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.59 -40.97 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.2 tp -57.97 -28.49 64.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.398 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -70.33 -51.74 27.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.338 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -63.74 -36.73 84.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.85 -63.61 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -45.64 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.089 -178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.2 p -63.88 -36.59 84.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.371 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -73.36 -16.9 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.414 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.402 ' CD2' ' CB ' ' B' 1909 ' ' ALA . 4.0 pp -115.4 -177.1 3.06 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-O 121.457 0.646 . . . . 0.0 112.214 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.93 -134.3 37.34 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.42 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -98.37 42.79 1.08 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 61.65 61.25 1.48 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.576 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.77 117.94 1.65 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.052 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -60.94 153.59 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.124 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -68.72 -29.08 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.73 -48.22 69.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.75 -41.83 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.188 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.6 p -76.07 -32.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.62 -30.8 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.24 -37.59 44.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.606 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -33.98 61.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.675 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.7 pt -74.36 -36.3 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 111.669 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -29.31 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -21.58 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.613 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.67 68.8 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 170.48 -63.82 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 131' ' ' ASP . 4.1 pt 63.3 -51.27 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.511 ' N ' HG13 ' A' ' 130' ' ' ILE . 2.3 t70 57.03 50.99 11.12 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.555 0.616 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.05 33.71 8.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.35 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.01 87.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.766 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -178.43 -121.34 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.594 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -62.84 145.48 54.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.77 0.319 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.2 mt -141.75 105.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.399 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.58 130.68 43.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.294 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.423 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 1.1 p90 -84.18 6.65 21.73 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -41.67 12.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.981 0.419 . . . . 0.0 110.347 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.87 -36.22 56.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -66.77 -49.19 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.8 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.1 p -64.33 -36.58 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.494 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -72.99 -42.72 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.857 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.441 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 0.0 OUTLIER -71.77 -31.93 67.14 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.009 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -28.73 54.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.621 0.248 . . . . 0.0 111.645 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 14.1 p -99.12 -35.66 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.279 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.52 24.57 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.046 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.818 0.342 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.17 36.03 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.998 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -98.82 -33.38 10.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -83.28 -32.57 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.648 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -72.67 -37.09 68.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.726 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -66.57 -49.5 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 14.6 m -54.14 -45.4 66.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.844 0.354 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 55.8 p -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.183 0.516 . . . . 0.0 109.898 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1909 ' ' ALA . . . . . 0.402 ' CB ' ' CD2' ' A' ' 112' ' ' LEU . . . -75.14 -18.71 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.137 179.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.94 -47.55 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.068 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.1 p -65.31 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.423 HD13 ' CD2' ' A' ' 89' ' ' PHE . 3.3 tt -62.15 -33.21 57.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.115 0.483 . . . . 0.0 110.065 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.433 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -61.99 -43.38 98.95 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.347 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -28.68 68.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.215 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.56 91.83 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.217 179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -59.19 -34.86 72.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.476 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -60.43 -49.97 75.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -33.73 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.398 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.441 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 10.8 t80 -59.1 -49.96 75.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.541 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.6 mp -75.14 -57.67 3.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -168.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.733 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 5.8 tttt 65.95 44.1 2.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 59.58 109.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 4.0 tptt -115.84 120.83 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -109.67 146.75 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -36.48 45.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 14.8 tttm . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.878 -179.976 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.6 mmt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.836 0.35 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.1 121.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.545 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -107.21 30.14 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.245 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.58 21.82 7.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.54 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.82 -28.35 64.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.688 0.28 . . . . 0.0 111.221 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -98.39 -48.47 5.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.33 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -57.51 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.584 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.95 -46.73 86.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.637 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.81 -50.28 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.525 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.6 tm? -57.18 -53.09 62.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.443 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.8 mt -55.14 -39.62 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.381 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -72.85 -42.9 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.138 0.494 . . . . 0.0 110.761 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.55 92.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.967 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -69.26 -35.31 75.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.671 179.833 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.39 -42.47 61.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.2 t -59.53 -27.36 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' CZ ' ' OG ' ' B' 1908 ' ' SER . 52.2 m-85 -101.07 29.12 4.82 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.022 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -59.3 141.39 54.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -101.25 -82.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -177.91 37.56 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.792 0.33 . . . . 0.0 111.049 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -138.09 45.63 1.04 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 58.79 30.18 19.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.441 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 112.17 48.24 0.67 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.407 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.1 mt -112.9 152.88 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 tt -145.76 133.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -74.53 138.49 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.96 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.262 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -53.04 62.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -38.93 64.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.9 tp -57.57 -31.88 66.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -68.47 -51.23 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.78 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -63.65 -44.93 92.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.349 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 38.3 t -56.96 -61.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.755 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.2 mmt -60.92 -48.23 82.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.189 -178.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.8 p -64.53 -38.77 92.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.603 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -71.31 -17.51 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.725 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 113' ' ' GLY . 1.3 pp -118.58 179.48 4.11 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-O 121.516 0.674 . . . . 0.0 112.267 -179.489 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.4 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 71.78 -129.83 16.58 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.227 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -101.42 39.21 1.46 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm 62.23 61.86 1.25 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.461 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.92 119.01 2.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.977 -179.015 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 p -56.13 147.76 19.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.618 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.36 -27.12 65.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.78 -48.43 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -59.92 -44.21 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.25 -32.54 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.31 -36.66 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.07 -52.21 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.631 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 3.7 ptt? -60.19 -46.07 90.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.796 -179.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.3 pt -63.89 -27.59 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.713 -179.48 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -42.39 59.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.77 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -81.45 -23.06 37.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.445 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.422 ' HA ' ' CD1' ' A' ' 141' ' ' PHE . . . -58.67 -51.61 69.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.656 0.265 . . . . 0.0 111.479 -179.564 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 172.08 -58.68 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.348 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.9 tt 45.39 30.36 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.035 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -89.61 170.91 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.58 -152.17 42.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.79 55.04 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.101 0.477 . . . . 0.0 110.801 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.42 46.03 6.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.554 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -112.38 126.33 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 0.0 110.558 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 15.9 mt -130.06 115.09 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.508 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -84.96 125.08 32.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.295 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.441 ' CZ ' ' CA ' ' A' ' 98' ' ' GLY . 3.4 p90 -77.03 -1.12 27.25 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -88.85 -39.79 13.59 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 120.856 0.36 . . . . 0.0 110.052 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.16 -38.95 50.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 11.2 t80 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.867 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.58 -33.78 61.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.676 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -53.7 55.07 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -32.02 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.061 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' B' 1919 ' ' TYR . 1.9 mtm -57.24 -34.33 68.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.8 m -110.04 -30.31 2.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.395 -179.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.46 29.81 5.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.056 -179.637 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.849 0.357 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -98.87 36.8 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -80.29 -74.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -0.02 52.67 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.09 -56.23 7.44 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.989 0.424 . . . . 0.0 111.039 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.06 -51.15 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 16.7 m -53.71 -42.29 50.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.803 0.335 . . . . 0.0 111.563 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1908 ' ' SER . . . . . 0.401 ' OG ' ' CZ ' ' A' ' 92' ' ' PHE . 17.0 p -57.11 -36.2 70.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.571 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.81 -25.34 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.118 179.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.0 mt -61.31 -56.86 15.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 110.154 179.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -61.75 -37.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.461 179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -34.75 65.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.16 0.505 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1913 ' ' GLN . . . . . 0.44 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.1 tt0 -60.82 -41.37 95.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.618 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -60.91 -33.76 73.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.207 178.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.84 93.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.609 179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.0 m-85 -60.32 -35.66 76.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -60.91 -43.81 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.21 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -70.94 -32.42 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.174 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1919 ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' A' ' 145' ' ' MET . 17.7 t80 -57.78 -62.16 2.0 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.417 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.2 -30.65 66.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.741 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.82 98.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -135.66 91.56 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 150.82 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.42 86.64 7.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -83.92 -41.85 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.53 128.56 49.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.685 0.279 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.9 tt0 -57.31 -57.22 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.555 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -63.62 -42.89 98.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.508 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -68.26 -35.18 77.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.069 HD23 HG23 ' A' ' 142' ' ' VAL . 13.6 tp -70.51 -48.01 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 82' ' ' GLU . 9.1 mt -62.09 -40.7 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.81 -44.68 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.18 -42.32 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.001 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.723 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.2 OUTLIER -70.67 -36.41 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.29 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -52.95 -37.59 61.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.477 HG21 ' OG ' ' B' 1908 ' ' SER . 21.7 t -58.84 -28.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.087 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' B' 1905 ' ' GLU . 68.9 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.449 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -131.45 162.52 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.436 HD13 ' CE1' ' A' ' 89' ' ' PHE . 4.0 tt -140.39 145.42 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m -85.28 125.54 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.979 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -67.06 -34.51 77.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.27 -53.11 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.5 mt-10 -78.12 -37.83 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.607 HD11 ' SD ' ' A' ' 109' ' ' MET . 38.5 tp -58.01 -30.1 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.201 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 110' ' ' THR . 0.2 OUTLIER -65.85 -51.7 56.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.023 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.63 -39.56 91.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.8 t -58.4 -62.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.567 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.607 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.88 -48.3 82.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.969 -179.03 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.1 p -61.59 -39.94 92.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.734 0.302 . . . . 0.0 111.439 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.99 -17.01 62.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.694 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.589 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.4 pp -115.43 -177.57 3.17 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.476 0.655 . . . . 0.0 112.155 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.405 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.52 -134.95 35.89 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.666 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.9 42.27 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 61.4 63.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.934 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.472 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -48.49 119.83 3.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.657 -179.348 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.7 p -55.56 145.25 23.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.761 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.454 ' OD1' HG21 ' A' ' 110' ' ' THR . 19.4 m-20 -69.44 -29.17 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.273 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -73.94 -47.91 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -59.81 -39.67 85.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.132 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.5 p -69.42 -32.52 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.418 ' HA ' HD11 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -67.06 -30.98 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.455 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.5 -52.07 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.446 ' CE ' ' CZ ' ' B' 1916 ' ' TYR . 3.7 ptt? -56.87 -39.66 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.609 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.574 HD12 ' HB1' ' A' ' 102' ' ' ALA . 18.1 pt -74.02 -33.02 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.719 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -66.87 -41.04 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.9 -21.06 44.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.624 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.506 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -60.72 -51.54 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.242 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.979 HD11 ' HB2' ' A' ' 102' ' ' ALA . 30.8 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.868 0.366 . . . . 0.0 111.502 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.96 123.77 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.288 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.612 ' O ' HG12 ' A' ' 142' ' ' VAL . 2.2 p90 -77.66 -0.97 28.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.61 -42.35 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.894 0.378 . . . . 0.0 110.582 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.13 -38.42 56.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.806 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.15 -49.33 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.954 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 1.069 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -68.25 -34.25 65.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 0.0 110.358 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.27 -53.49 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.8 ptm -70.13 -31.69 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.434 ' SD ' HD22 ' A' ' 85' ' ' LEU . 47.6 ttm -58.48 -32.45 68.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1905 ' ' GLU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 7.2 mt-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.722 0.296 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' B' 1909 ' ' ALA . 3.8 pt-20 -60.19 -41.11 92.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 20.4 t -53.45 -57.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.424 . . . . 0.0 111.269 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.477 ' OG ' HG21 ' A' ' 91' ' ' VAL . 3.2 m -57.58 -27.11 62.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.578 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -70.67 -28.4 64.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 49.0 mt -72.46 -51.53 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 110.5 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.472 HG13 ' N ' ' B' 1912 ' ' ILE . 12.1 p -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.723 HD11 ' CD2' ' A' ' 89' ' ' PHE . 6.5 tt -59.08 -31.99 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.2 tt0 -63.7 -36.64 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.497 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -62.61 -35.65 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.88 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.67 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.5 m-85 -58.97 -39.34 81.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.672 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -59.2 -44.36 92.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.578 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -72.4 -33.04 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.451 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 34.6 t80 -60.49 -54.59 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.623 0.249 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 86' ' ' ILE . 24.9 tt0 -65.53 -55.78 15.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.645 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -67.94 -34.4 76.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.34 -49.81 21.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 111.315 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.748 HD11 ' CE2' ' A' ' 89' ' ' PHE . 59.4 tp -59.26 -50.32 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.204 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 82' ' ' GLU . 36.6 mt -59.97 -39.51 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.09 -45.36 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.703 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.575 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.51 -40.66 92.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.748 ' CE2' HD11 ' A' ' 85' ' ' LEU . 2.0 m-85 -72.15 -35.59 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -35.82 62.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.818 HG21 ' OG ' ' B' 1908 ' ' SER . 24.6 t -64.5 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.611 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.742 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.432 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.895 -0.082 . . . . 0.0 112.895 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 137' ' ' ASN . 4.4 mt -122.91 151.38 41.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.472 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.53 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.7 tt -138.43 129.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.388 . . . . 0.0 111.375 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.31 139.33 52.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.043 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.85 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.2 -34.48 70.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.23 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.332 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.0 pt-20 -73.99 -44.31 55.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.554 HD11 ' SD ' ' A' ' 109' ' ' MET . 23.4 tp -55.22 -33.46 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.456 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.806 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -65.33 -51.61 59.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.011 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 104' ' ' GLU . 42.3 t -56.55 -63.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.717 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.554 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.72 -48.13 83.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.955 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.1 p -61.09 -44.32 97.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.307 . . . . 0.0 111.368 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -67.29 -17.62 64.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.618 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.496 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.4 pp -115.09 -176.22 2.86 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.468 0.651 . . . . 0.0 112.211 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.462 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 64.85 -133.88 37.52 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.531 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -98.33 41.84 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 61.72 60.88 1.52 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.642 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -46.76 124.79 6.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.913 -179.066 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.9 p -65.24 153.63 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.261 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.452 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.2 t70 -69.05 -30.28 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.009 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.34 -49.0 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.83 95.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.806 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.7 p -73.67 -32.25 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.005 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -72.36 -34.89 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -73.2 -38.46 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.706 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.414 ' CE ' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -75.09 -33.97 61.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.247 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.821 HD12 ' HB1' ' A' ' 102' ' ' ALA . 22.0 pt -74.6 -28.03 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.605 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.42 -29.05 59.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -82.38 -28.8 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.345 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -66.33 -51.71 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 111.431 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.215 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.85 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.8 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.846 0.355 . . . . 0.0 111.342 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.547 ' N ' HD23 ' A' ' 99' ' ' LEU . 2.1 t-20 -74.23 126.11 29.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.408 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.611 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.3 p90 -78.5 0.33 26.47 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -86.77 -40.59 14.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.124 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.79 -39.72 50.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.47 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.448 ' CZ ' ' CE ' ' A' ' 145' ' ' MET . 25.8 t80 -61.41 -48.61 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.092 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.886 ' O ' HG22 ' A' ' 146' ' ' VAL . 10.3 p -67.51 -36.51 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 110.142 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -62.38 -53.49 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -32.94 69.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.364 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.616 ' HE3' HD22 ' A' ' 85' ' ' LEU . 1.8 ttp -60.08 -52.96 63.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 142' ' ' VAL . 23.4 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.715 0.293 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.92 -54.85 37.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.478 HG13 ' N ' ' B' 1908 ' ' SER . 14.4 p -50.38 -46.87 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 111.507 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.818 ' OG ' HG21 ' A' ' 91' ' ' VAL . 2.7 m -59.51 -31.7 69.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.083 0.468 . . . . 0.0 110.171 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -74.5 -24.45 59.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.024 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.2 mm -67.39 -50.89 58.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.2 p -63.83 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.706 ' CG1' HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -60.71 -34.85 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.442 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.451 ' HG3' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -63.31 -39.3 94.18 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.692 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -61.41 -33.36 73.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.08 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.59 92.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.402 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.8 m-85 -57.1 -36.77 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.539 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -49.41 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.03 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -35.03 77.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.422 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 38.7 t80 -62.85 -60.9 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.209 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.468 -179.372 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.845 0.355 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.649 ' HG3' HD11 ' A' ' 86' ' ' ILE . 1.4 tt0 -62.54 -57.77 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.117 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.97 -38.56 76.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.98 -50.03 17.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 111.538 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.914 HD23 HG23 ' A' ' 142' ' ' VAL . 28.0 tp -59.28 -48.48 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.143 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.649 HD11 ' HG3' ' A' ' 82' ' ' GLU . 42.1 mt -58.87 -40.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.694 0.283 . . . . 0.0 110.61 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -46.33 68.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.54 -52.22 66.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.757 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -60.59 -35.52 76.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.158 0.504 . . . . 0.0 110.35 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -41.82 62.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.753 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.51 -27.24 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.165 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.447 ' CE1' HG11 ' A' ' 108' ' ' VAL . 77.2 m-85 . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.456 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.644 -0.182 . . . . 0.0 112.644 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 mp -118.43 152.83 35.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.432 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 tt -132.23 141.83 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.09 135.86 35.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.22 -41.1 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.31 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.507 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.861 ' O ' HG23 ' A' ' 108' ' ' VAL . 49.1 mt-10 -77.11 -40.42 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 124' ' ' MET . 47.6 tp -56.63 -40.21 75.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.289 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.873 ' HA ' HG21 ' A' ' 121' ' ' VAL . 3.5 ttt180 -60.11 -51.27 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.74 -44.74 92.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.046 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 104' ' ' GLU . 40.3 t -59.25 -58.74 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.475 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.404 ' HG2' HD12 ' A' ' 105' ' ' LEU . 7.8 mmt -59.95 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.816 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 106' ' ' ARG . 80.8 p -67.33 -30.02 69.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.19 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -79.89 -13.63 59.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.708 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.447 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -120.18 -176.15 3.14 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.244 0.545 . . . . 0.0 111.825 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.47 -134.96 33.37 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.82 43.22 1.07 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt 62.15 61.64 1.3 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.619 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 117' ' ' THR . 0.6 OUTLIER -47.13 131.81 12.54 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.02 -179.083 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.488 ' N ' HD23 ' A' ' 116' ' ' LEU . 3.4 p -70.23 149.9 46.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.231 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.76 -32.67 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.74 -47.5 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.713 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.873 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.4 p -67.06 -32.72 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.03 -52.31 65.78 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.04 -35.17 77.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.728 ' HE3' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -64.86 -54.34 32.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.5 pt -67.22 -27.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.913 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.27 -39.37 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -22.83 25.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.592 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.521 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -59.59 -51.82 68.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.039 0.447 . . . . 0.0 110.158 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.793 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.9 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.655 0.264 . . . . 0.0 111.627 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.97 107.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.291 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.763 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.7 p90 -57.8 -19.89 31.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.896 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.25 95.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.382 . . . . 0.0 110.728 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -71.94 -41.73 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.38 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.478 ' CZ ' ' HG2' ' A' ' 124' ' ' MET . 24.5 t80 -65.82 -48.39 71.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.914 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -67.86 -36.89 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.396 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.71 68.62 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -31.41 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.451 ' SD ' HD22 ' A' ' 85' ' ' LEU . 50.6 ttm -57.84 -32.47 67.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 142' ' ' VAL . 6.1 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.354 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.766 0.317 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.2 -56.56 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.45 HG23 ' N ' ' B' 1908 ' ' SER . 12.8 m -46.32 -49.0 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 111.625 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.499 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 97.8 p -60.1 -32.22 70.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.252 0.549 . . . . 0.0 109.955 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.593 ' O ' HG22 ' B' 1912 ' ' ILE . . . -74.51 -23.73 58.88 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.955 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.83 -51.85 51.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.933 0.397 . . . . 0.0 110.122 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -61.71 -38.52 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.757 HD11 ' CG ' ' A' ' 89' ' ' PHE . 2.4 tt -61.98 -33.01 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.352 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.44 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.3 tt0 -63.18 -41.17 99.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.379 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -61.44 -32.95 72.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.08 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1915 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -60.5 -44.38 96.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.447 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.458 ' CZ ' ' HE2' ' A' ' 124' ' ' MET . 9.7 m-85 -58.78 -39.11 80.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.364 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -44.63 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.472 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -31.49 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.9 t80 -58.73 -61.57 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.681 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.212 -179.568 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -58.73 -57.22 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.331 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.32 -35.45 80.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.84 -49.91 22.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 111.324 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.791 HD23 HG23 ' A' ' 142' ' ' VAL . 37.6 tp -57.68 -49.78 75.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.466 HD12 ' O ' ' A' ' 82' ' ' GLU . 31.4 mt -58.48 -40.46 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 91' ' ' VAL . 7.2 tt0 -69.65 -43.18 73.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.719 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.513 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.54 -46.12 91.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.033 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 85' ' ' LEU . 2.4 m-85 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.65 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -53.22 -36.36 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.484 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.747 HG21 ' OG ' ' B' 1908 ' ' SER . 21.8 t -69.5 -26.85 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.753 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.452 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.601 -0.199 . . . . 0.0 112.601 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.405 HD23 ' OD1' ' A' ' 137' ' ' ASN . 29.5 mt -116.09 152.09 34.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 111.04 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.672 HD11 HD13 ' A' ' 105' ' ' LEU . 12.4 tt -138.15 120.32 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.1 t -64.38 130.77 45.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.037 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.45 -31.76 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.27 60.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.902 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.2 pt-20 -76.97 -39.91 48.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.672 HD13 HD11 ' A' ' 100' ' ' ILE . 23.7 tp -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.518 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.774 ' HA ' HG21 ' A' ' 121' ' ' VAL . 8.5 ttp180 -63.06 -51.56 66.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -64.12 -42.34 96.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 104' ' ' GLU . 38.7 t -54.67 -64.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 111.714 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.519 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.75 -48.0 83.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.16 -179.013 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 69.4 p -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -76.18 -19.83 58.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.551 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.803 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.3 pp -117.76 -178.06 3.39 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.637 0.732 . . . . 0.0 112.478 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.652 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 68.74 -129.75 24.88 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.599 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.02 39.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 59.91 60.06 2.27 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.428 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.5 OUTLIER -45.08 130.49 7.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.15 -178.768 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -75.93 155.53 35.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.405 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.467 ' HA ' HG12 ' A' ' 121' ' ' VAL . 33.8 m-20 -68.6 -30.83 69.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.71 -40.06 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.15 -52.93 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.774 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.0 p -65.21 -33.01 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.37 -52.61 64.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.81 -33.36 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.254 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.767 ' HE3' HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -65.58 -54.19 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.258 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.8 pt -69.85 -26.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -74.14 -38.91 63.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.398 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.94 -4.51 32.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 124' ' ' MET . . . -70.44 -51.55 28.53 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.742 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.857 0.361 . . . . 0.0 111.19 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 1.037 HD11 ' HB2' ' A' ' 102' ' ' ALA . 25.3 mt . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.819 0.342 . . . . 0.0 111.87 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.405 ' OD1' HD23 ' A' ' 99' ' ' LEU . 5.2 m-20 -84.76 129.43 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.049 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.606 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -79.77 1.88 25.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.94 -42.06 13.45 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -74.48 -36.18 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.979 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.463 ' CZ ' ' CG ' ' A' ' 124' ' ' MET . 16.6 t80 -66.88 -48.24 69.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.791 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -68.38 -33.7 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.006 0.431 . . . . 0.0 110.391 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -65.54 -53.29 44.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.413 ' HE3' ' CE1' ' B' 1919 ' ' TYR . 0.2 OUTLIER -68.58 -31.2 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.922 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 55.9 ttm -58.9 -46.02 88.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.1 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.951 0.405 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.33 -48.36 76.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t -55.73 -42.79 71.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.747 ' OG ' HG21 ' A' ' 91' ' ' VAL . 4.8 m -57.15 -34.25 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.803 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.77 -24.95 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.133 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.2 mt -64.15 -54.43 31.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.886 0.374 . . . . 0.0 110.358 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' 1912 ' ' ILE . 12.0 p -62.09 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.701 ' CG1' HD12 ' A' ' 85' ' ' LEU . 1.2 tt -62.22 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -37.58 86.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -34.88 79.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.126 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.89 97.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.482 ' CZ ' ' HE2' ' A' ' 124' ' ' MET . 9.3 m-85 -59.34 -36.76 76.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.315 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -62.25 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.218 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.07 -32.13 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.401 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.443 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.4 t80 -58.14 -60.32 3.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.308 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1920 ' ' LEU . . . . . 0.417 HD12 ' CD2' ' B' 1919 ' ' TYR . 8.9 mp . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.731 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.692 0.282 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.78 -53.92 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.946 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -62.33 -51.54 67.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.647 ' OE2' ' HB2' ' B' 1915 ' ' ALA . 0.5 OUTLIER -65.89 -43.33 88.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.711 0.291 . . . . 0.0 111.66 -179.096 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.035 HD23 HG23 ' A' ' 142' ' ' VAL . 34.1 tp -59.57 -49.73 76.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.31 -36.54 69.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.79 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -73.18 -47.36 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.24 -44.49 95.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.74 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.663 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 110.199 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.81 61.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.668 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.6 t -62.22 -29.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.76 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.252 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.771 -0.132 . . . . 0.0 112.771 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 mp -113.21 144.02 43.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.967 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.79 HD11 HD13 ' A' ' 105' ' ' LEU . 13.1 tt -131.8 136.85 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.187 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 t -77.39 137.57 38.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.882 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.99 -51.27 26.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.621 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.41 74.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.908 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.889 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.0 mt-10 -74.82 -41.22 60.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.382 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.79 HD13 HD11 ' A' ' 100' ' ' ILE . 29.5 tp -57.8 -38.38 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.409 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.779 ' HA ' HG21 ' A' ' 121' ' ' VAL . 6.2 ttm180 -58.51 -51.16 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.322 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -64.41 -42.43 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.466 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.1 t -56.43 -63.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.962 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.66 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.29 -42.78 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.697 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 106' ' ' ARG . 75.0 p -64.97 -36.24 83.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.516 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -75.71 -16.51 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.673 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.3 pp -115.41 -176.56 2.94 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.306 0.574 . . . . 0.0 112.007 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.69 -134.99 35.43 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.222 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 42.96 1.08 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt 61.71 61.46 1.43 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.583 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.4 OUTLIER -45.74 131.64 9.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.136 -178.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.9 p -70.84 150.81 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.167 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.433 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.5 t0 -68.67 -29.9 68.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.92 -48.99 66.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.207 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.83 -42.5 93.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.95 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.779 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.6 p -75.52 -32.23 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.87 -34.67 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.66 -36.08 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.568 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.612 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.46 -33.46 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.395 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.2 pt -73.59 -41.08 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -27.93 64.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.256 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.74 -14.41 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -64.34 -51.43 63.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.0 t0 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 0.0 110.626 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.882 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.8 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.782 0.325 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.46 131.18 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.311 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.497 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -86.49 10.37 15.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -39.11 13.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.036 0.446 . . . . 0.0 110.173 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -76.74 -42.19 42.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.435 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 54.8 t80 -62.18 -48.91 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.009 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 1.035 HG23 HD23 ' A' ' 85' ' ' LEU . 12.5 p -63.88 -35.98 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.65 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.09 -43.94 66.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.94 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.438 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.2 ptm -70.87 -31.9 68.72 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -27.22 49.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.553 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.234 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.872 0.367 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' B' 1909 ' ' ALA . 18.2 mt-10 -61.82 -53.01 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.653 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -45.08 -57.4 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.592 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.3 m -57.05 -29.17 63.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.604 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.98 -28.15 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.987 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 41.2 mt -65.78 -52.05 54.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.323 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.65 -38.82 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.749 ' CG1' HD12 ' A' ' 85' ' ' LEU . 3.6 tt -62.9 -32.0 54.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 110.463 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.4 OUTLIER -63.52 -39.98 95.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -36.05 78.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.034 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1915 ' ' ALA . . . . . 0.647 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . . . -59.39 -42.13 91.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 22.0 m-85 -60.11 -35.78 75.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.169 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -42.1 86.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.911 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -34.55 70.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.83 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 15.1 t80 -59.69 -54.19 49.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.321 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.743 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.626 0.251 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 86' ' ' ILE . 4.0 tt0 -56.78 -57.2 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.677 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.95 -40.57 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.642 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.74 -49.55 68.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.294 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.623 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.5 tm? -58.12 -51.93 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.518 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 82' ' ' GLU . 27.5 mt -56.15 -36.4 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 111.108 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -72.46 -44.81 61.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.703 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.649 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.8 -44.4 96.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -71.2 -35.71 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.082 0.468 . . . . 0.0 110.697 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -53.82 -35.99 62.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.598 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.742 HG21 ' OG ' ' B' 1908 ' ' SER . 23.7 t -66.54 -26.41 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.132 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.739 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.712 ' C ' HD12 ' A' ' 99' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.628 -0.189 . . . . 0.0 112.628 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.712 HD12 ' C ' ' A' ' 98' ' ' GLY . 7.0 mp -125.0 151.24 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.683 0.277 . . . . 0.0 110.647 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.503 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.7 tt -135.15 140.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.291 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.19 135.11 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.006 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.05 -51.59 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.7 mt-10 -75.21 -38.08 60.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.147 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.555 HD11 ' SD ' ' A' ' 109' ' ' MET . 25.3 tp -58.87 -31.26 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.825 ' HA ' HG21 ' A' ' 121' ' ' VAL . 31.0 ttt180 -67.16 -51.2 56.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -63.65 -40.2 96.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.435 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 104' ' ' GLU . 39.1 t -59.61 -63.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.703 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.555 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.04 -45.05 94.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.967 -178.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 106' ' ' ARG . 80.5 p -65.13 -38.02 89.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.209 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -73.75 -14.08 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.465 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.5 pp -118.88 -175.9 3.0 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.416 0.627 . . . . 0.0 112.184 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.465 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 64.87 -134.66 37.61 Favored Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.383 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.52 43.09 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.39 61.41 1.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.75 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -46.7 120.67 3.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.987 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.5 p -60.24 152.19 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.145 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HA ' HG12 ' A' ' 121' ' ' VAL . 7.5 p-10 -68.95 -30.75 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -67.42 -46.22 73.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.325 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.9 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.825 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.1 p -72.93 -32.5 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' A' ' 125' ' ' ILE . 0.7 OUTLIER -71.4 -29.58 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.57 -39.44 58.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.412 ' HE2' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -74.94 -34.49 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.8 pt -74.53 -29.36 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 111.39 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.2 ttt85 -71.02 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.15 -5.92 29.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.002 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.458 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -68.98 -52.77 25.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.757 -179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.739 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 1.006 HD11 ' HB2' ' A' ' 102' ' ' ALA . 31.0 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.899 0.381 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.39 127.13 31.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.527 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.9 OUTLIER -80.25 2.21 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -88.4 -39.36 14.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -76.32 -38.83 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.7 -46.49 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.834 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 138' ' ' TYR . 12.3 p -68.84 -33.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -62.69 -53.91 47.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -31.73 68.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.408 ' HE1' ' HG ' ' A' ' 85' ' ' LEU . 14.3 ttp -57.9 -34.11 69.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 142' ' ' VAL . 32.6 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.211 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.8 0.334 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' B' 1907 ' ' VAL . 26.4 pt-20 -58.01 -45.04 87.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.053 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' B' 1906 ' ' GLU . 21.4 t -51.29 -52.71 18.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.957 0.408 . . . . 0.0 111.371 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.742 ' OG ' HG21 ' A' ' 91' ' ' VAL . 1.5 m -55.7 -31.57 62.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.417 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -73.7 -27.32 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.46 -51.36 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.6 p -62.26 -38.27 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.649 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -62.19 -34.61 64.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.054 0.454 . . . . 0.0 110.042 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.431 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -63.06 -40.01 96.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 178.685 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.74 -32.76 73.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.157 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.78 96.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.217 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 18.7 m-85 -57.75 -38.84 76.09 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -60.81 -33.85 73.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.104 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -80.79 -31.42 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.37 -54.57 41.99 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.521 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.643 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.747 0.308 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.509 ' O ' HD12 ' A' ' 86' ' ' ILE . 7.4 pt-20 -59.95 -49.85 76.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.549 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.54 -54.14 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.27 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -64.11 -45.19 89.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -58.94 -50.33 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.142 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 82' ' ' GLU . 18.6 mt -59.02 -39.93 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.0 -44.63 68.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.02 0.438 . . . . 0.0 110.722 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.59 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.54 -48.19 82.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.5 -35.67 81.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.421 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.0 -39.54 63.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.795 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 ' OG ' ' B' 1908 ' ' SER . 21.9 t -62.5 -27.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.033 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.244 -179.852 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.453 HD23 ' CA ' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -125.96 162.86 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.581 0.229 . . . . 0.0 110.741 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.501 ' CD1' HD13 ' A' ' 105' ' ' LEU . 17.9 tt -147.64 136.15 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.1 136.99 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.798 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.26 -37.35 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.23 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.68 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.405 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.876 ' O ' HG23 ' A' ' 108' ' ' VAL . 28.9 mt-10 -75.88 -37.12 59.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.555 HD11 ' SD ' ' A' ' 109' ' ' MET . 29.5 tp -59.01 -34.55 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.046 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.758 ' HA ' HG21 ' A' ' 121' ' ' VAL . 11.1 ttp180 -63.84 -51.54 64.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -63.16 -43.21 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 104' ' ' GLU . 41.8 t -56.58 -62.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.591 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.555 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.22 -45.4 93.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.039 -179.06 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 106' ' ' ARG . 79.8 p -64.36 -36.26 83.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 111.52 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -74.33 -17.36 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.481 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.457 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -114.68 -176.17 2.84 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.288 0.566 . . . . 0.0 111.944 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.18 -136.8 37.57 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.43 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -97.72 44.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm 61.6 62.06 1.37 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.624 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -47.23 125.59 8.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.836 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 p -70.72 153.27 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.532 ' HA ' HG12 ' A' ' 121' ' ' VAL . 4.9 p-10 -69.15 -28.55 66.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -42.14 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.1 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.4 p -74.71 -31.99 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.01 -34.63 75.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.0 -39.59 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.481 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -73.53 -33.68 64.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.622 0.249 . . . . 0.0 111.618 -179.321 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 121' ' ' VAL . 22.7 pt -74.5 -28.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.728 0.299 . . . . 0.0 111.531 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -73.18 -30.41 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -90.31 -26.69 19.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.8 72.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.453 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 102' ' ' ALA . 16.5 mt . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.813 0.339 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.453 ' CA ' HD23 ' A' ' 99' ' ' LEU . 3.0 t-20 -70.76 124.75 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -77.45 -1.6 31.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.125 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.11 -38.88 16.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.718 0.294 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.9 -40.72 46.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.06 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.816 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 138' ' ' TYR . 13.9 p -68.86 -33.45 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -54.14 49.73 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.455 ' HE3' ' C ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -71.6 -31.57 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.102 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ttm -57.36 -31.71 66.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.5 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.326 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.38 -31.03 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.714 ' O ' HG22 ' B' 1910 ' ' ILE . 23.5 t -65.01 -59.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.554 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 2.3 m -57.37 -27.95 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.961 0.41 . . . . 0.0 110.966 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -79.24 -22.96 44.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.623 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1910 ' ' ILE . . . . . 0.714 HG22 ' O ' ' B' 1907 ' ' VAL . 0.2 OUTLIER -75.21 -36.33 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.404 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.423 HG12 ' O ' ' B' 1908 ' ' SER . 13.5 p -72.27 -37.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.921 0.391 . . . . 0.0 110.107 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.59 HD12 ' CB ' ' A' ' 88' ' ' ALA . 1.0 OUTLIER -62.93 -34.29 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.836 179.257 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.468 ' HG3' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -64.09 -41.6 97.24 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.448 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -60.66 -33.21 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.955 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.47 97.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.7 m-85 -61.26 -35.73 78.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.253 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.55 -43.83 93.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.224 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -32.83 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.115 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -60.12 -54.46 45.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.44 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 CA--C 1.528 0.135 0 CA-C-O 120.474 0.178 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.05 -57.12 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 111.339 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.58 -43.34 80.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.576 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.22 -49.88 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.6 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -57.19 -50.52 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.62 -39.16 68.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.711 0.291 . . . . 0.0 111.139 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -45.71 61.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.494 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.39 -49.16 78.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.879 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.697 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.2 OUTLIER -66.12 -35.94 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -41.08 51.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.889 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG12 ' OE2' ' B' 1905 ' ' GLU . 21.7 t -64.37 -26.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.89 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' B' 1909 ' ' ALA . 66.1 m-85 . . . . . 0 C--N 1.333 -0.115 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.413 HD23 ' CA ' ' A' ' 137' ' ' ASN . 2.0 mt -109.3 150.82 27.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' A' ' 105' ' ' LEU . 14.2 tt -130.2 142.05 44.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.203 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.4 m -83.92 128.02 34.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -68.36 -31.69 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.431 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.58 56.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.214 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.89 ' O ' HG23 ' A' ' 108' ' ' VAL . 2.2 mt-10 -78.48 -35.2 46.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD11 ' SD ' ' A' ' 109' ' ' MET . 24.6 tp -56.09 -35.57 67.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.491 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.786 ' HA ' HG21 ' A' ' 121' ' ' VAL . 10.4 ttt180 -63.93 -51.4 64.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.421 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -64.12 -41.12 97.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.7 t -58.7 -62.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.75 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.486 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.51 -48.1 83.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.066 -178.837 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 62.1 p -61.63 -37.56 84.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 0.0 111.386 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -73.03 -17.52 61.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.468 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.2 pp -115.28 -176.53 2.93 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.463 0.649 . . . . 0.0 112.325 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.5 -134.81 38.77 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.542 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -98.2 43.19 1.07 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 61.44 62.44 1.34 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -46.5 116.58 1.33 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.857 -179.15 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.6 p -55.73 150.0 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.619 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' HA ' HG12 ' A' ' 121' ' ' VAL . 2.4 p30 -69.51 -30.54 68.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.054 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -49.15 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -48.88 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.786 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.4 p -64.21 -31.53 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.418 ' HA ' HD11 ' A' ' 125' ' ' ILE . 22.4 t70 -68.25 -32.18 72.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.552 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -52.37 9.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.606 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -58.34 -35.65 72.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.151 -179.18 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 121' ' ' VAL . 17.3 pt -74.15 -42.43 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 111.739 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -28.46 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.311 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -25.22 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.451 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.17 -50.78 71.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.656 0.265 . . . . 0.0 111.64 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.657 ' HB2' HG23 ' A' ' 136' ' ' ILE . 1.1 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.644 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.3 mt . . . . . 0 N--CA 1.459 0.019 0 CA-C-O 120.832 0.349 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.413 ' CA ' HD23 ' A' ' 99' ' ' LEU . 6.1 t-20 -68.75 132.31 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.555 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.425 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.6 p90 -85.43 9.11 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.57 -40.76 12.41 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 120.962 0.411 . . . . 0.0 110.336 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.81 -39.34 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.536 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 46.2 t80 -65.72 -46.24 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.771 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 146' ' ' VAL . 8.7 p -65.57 -31.27 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.403 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -53.64 46.28 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.422 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 5.9 ptm -69.26 -32.01 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.424 ' HG2' ' CG ' ' B' 1919 ' ' TYR . 1.9 mtm -59.55 -41.96 91.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 142' ' ' VAL . 12.0 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.261 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1905 ' ' GLU . . . . . 0.425 ' OE2' HG12 ' A' ' 91' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.25 -49.76 73.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.456 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.8 t -46.01 -55.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.552 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -57.21 -31.08 65.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.463 179.293 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.526 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.18 -24.63 60.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.084 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.33 -51.55 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -59.5 -37.06 68.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.697 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.4 tt -62.26 -33.93 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.012 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -62.53 -40.88 98.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.778 178.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -60.03 -34.31 73.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.048 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1915 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -58.53 -34.4 70.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -41.78 93.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.886 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.67 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.128 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.424 ' CG ' ' HG2' ' A' ' 145' ' ' MET . 8.5 t80 -58.24 -62.64 1.68 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.261 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 179.581 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.675 0.274 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 86' ' ' ILE . 8.9 mt-10 -53.66 -57.55 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -59.53 -44.55 93.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.94 -50.26 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.918 0.39 . . . . 0.0 111.477 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.108 HD23 HG23 ' A' ' 142' ' ' VAL . 29.3 tp -58.05 -49.44 76.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 82' ' ' GLU . 28.4 mt -60.41 -39.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.706 0.288 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -51.29 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.36 -46.17 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.073 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.82 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.1 OUTLIER -63.46 -36.21 83.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.151 0.501 . . . . 0.0 110.361 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -54.46 -39.14 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.604 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.629 HG21 ' OG ' ' B' 1908 ' ' SER . 22.0 t -60.75 -26.2 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.984 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.333 -0.145 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.589 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 CA--C 1.518 0.269 0 CA-C-O 120.455 -0.081 . . . . 0.0 113.093 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.615 HD23 ' N ' ' A' ' 137' ' ' ASN . 36.3 mt -115.38 143.82 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.632 HD11 HD13 ' A' ' 105' ' ' LEU . 18.2 tt -136.06 141.46 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 111.338 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -84.39 140.24 31.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.24 -42.02 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.92 79.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.5 mt-10 -73.97 -41.38 62.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.635 HD11 ' SD ' ' A' ' 109' ' ' MET . 27.3 tp -58.19 -34.69 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.811 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.82 -51.49 66.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.626 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -63.95 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.554 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 104' ' ' GLU . 25.3 t -61.51 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.959 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.635 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.1 -47.96 83.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.219 -178.603 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 72.1 p -60.38 -40.11 89.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.5 -16.89 62.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.617 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.485 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -115.68 -177.91 3.26 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.579 0.704 . . . . 0.0 112.42 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.0 -131.59 33.61 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.391 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 40.33 1.24 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt 61.73 63.24 1.17 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.555 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.6 OUTLIER -44.85 122.39 3.21 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.958 -178.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -55.36 145.26 22.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.716 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.29 -29.67 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.172 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.48 -47.91 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.317 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.88 -42.88 94.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.215 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.811 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.5 p -65.28 -32.84 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.171 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.414 ' HA ' HD11 ' A' ' 125' ' ' ILE . 73.2 m-20 -65.12 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.278 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -50.91 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.497 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.447 ' HE2' HG23 ' A' ' 121' ' ' VAL . 3.9 ptt? -60.39 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.652 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 121' ' ' VAL . 17.0 pt -62.01 -27.63 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.702 0.286 . . . . 0.0 111.565 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -74.92 -39.99 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.448 ' HG2' ' HE1' ' A' ' 144' ' ' MET . 4.0 tp10 -89.49 -4.91 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.04 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.44 ' CB ' HG21 ' A' ' 136' ' ' ILE . . . -70.89 -50.69 32.3 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.739 0.304 . . . . 0.0 111.436 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.754 HD11 ' HB2' ' A' ' 102' ' ' ALA . 17.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.711 0.291 . . . . 0.0 111.348 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.615 ' N ' HD23 ' A' ' 99' ' ' LEU . 10.6 t30 -65.42 130.73 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.499 ' O ' HG12 ' A' ' 142' ' ' VAL . 5.6 p90 -84.79 9.31 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.11 -38.99 13.93 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.966 0.413 . . . . 0.0 110.228 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -77.04 -38.33 53.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 29.7 t80 -66.7 -44.99 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.109 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 1.108 HG23 HD23 ' A' ' 85' ' ' LEU . 13.6 p -68.14 -36.77 76.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -50.46 71.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.761 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.448 ' HE1' ' HG2' ' A' ' 127' ' ' GLU . 3.4 ppp? -69.43 -31.49 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.453 ' SD ' HD22 ' A' ' 85' ' ' LEU . 56.0 ttm -57.87 -37.73 74.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.17 179.711 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.821 0.343 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' B' 1909 ' ' ALA . 1.4 mp0 -64.28 -55.66 19.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 22.1 t -46.19 -54.15 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 111.558 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.636 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.2 m -57.1 -30.64 64.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -75.51 -20.26 58.84 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.129 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.95 -51.98 27.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.44 HG13 ' N ' ' B' 1912 ' ' ILE . 8.6 p -61.41 -44.73 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.785 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.82 HD11 ' CD2' ' A' ' 89' ' ' PHE . 5.0 tt -59.49 -30.83 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.478 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.7 tt0 -63.62 -40.92 98.12 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -61.21 -34.21 74.73 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.033 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.44 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.37 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 22.7 m-85 -61.63 -38.16 86.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.143 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -39.57 80.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.99 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -35.36 62.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.814 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.433 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 14.3 t80 -59.19 -61.95 2.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.358 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.194 179.54 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.528 0.204 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.2 mt-10 -67.29 -57.88 5.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.788 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.83 -30.61 67.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.877 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -75.51 -39.84 57.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.781 HD11 ' CE2' ' A' ' 89' ' ' PHE . 41.5 tp -72.13 -47.61 49.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.314 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 82' ' ' GLU . 26.1 mt -59.19 -40.82 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.155 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -47.46 66.23 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.029 0.442 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -59.59 -42.41 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.781 ' CE2' HD11 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -69.55 -35.83 75.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.481 . . . . 0.0 110.031 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -50.33 -38.73 43.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.593 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.92 -30.29 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.667 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 . . . . . 0 C--N 1.333 -0.12 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.436 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 CA--C 1.519 0.301 0 CA-C-O 120.484 -0.065 . . . . 0.0 113.007 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 137' ' ' ASN . 20.1 mt -107.15 132.75 52.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.74 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 136' ' ' ILE . 3.9 tt -123.2 136.6 59.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.175 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.42 141.7 29.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.84 -38.19 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.487 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.44 -53.15 60.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.3 pt-20 -74.44 -42.85 58.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 125' ' ' ILE . 29.3 tp -53.0 -39.91 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.692 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.835 ' HA ' HG21 ' A' ' 121' ' ' VAL . 5.1 ttt-85 -61.6 -51.54 68.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.456 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 8.5 t60 -63.48 -48.13 78.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.489 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.3 t -52.36 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB3' HD12 ' A' ' 116' ' ' LEU . 20.6 mmt -60.0 -48.28 82.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 68.9 p -62.27 -38.89 91.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.594 0.235 . . . . 0.0 111.559 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 2.5 m-80 -75.5 -14.22 60.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.5 pp -115.07 -177.03 3.03 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.319 0.581 . . . . 0.0 112.055 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.466 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 63.91 -132.62 40.24 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.203 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -99.5 40.97 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 61.87 63.73 1.09 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.521 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 109' ' ' MET . 0.6 OUTLIER -45.81 122.73 3.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.123 0.487 . . . . 0.0 111.911 -178.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -55.49 147.15 18.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.741 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.42 -30.19 68.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.66 -47.46 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.299 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.89 -42.68 94.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.122 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.835 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.1 p -66.99 -32.45 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.424 ' HA ' HD11 ' A' ' 125' ' ' ILE . 16.5 t0 -66.07 -31.28 72.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.333 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.19 -48.06 31.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.363 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 4.1 ptt? -61.68 -44.79 96.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.795 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.518 HG22 HD23 ' A' ' 105' ' ' LEU . 17.2 pt -66.79 -40.25 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.22 64.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.351 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -95.17 -4.71 45.53 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.487 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -78.22 -51.23 10.51 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.64 0.257 . . . . 0.0 111.551 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.733 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 102' ' ' ALA . 18.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.68 0.276 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.573 ' N ' HD23 ' A' ' 99' ' ' LEU . 1.8 m-20 -69.57 120.21 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.299 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.702 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -71.12 -7.87 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.58 -43.41 80.66 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.904 0.383 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.95 -36.17 59.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 49.3 t80 -66.59 -49.48 66.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.002 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.752 HG23 HD23 ' A' ' 85' ' ' LEU . 10.7 p -68.39 -36.21 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -64.88 -53.49 45.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.6 ' HE3' ' HA ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -68.8 -31.81 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.23 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.6 ' HA ' ' HE3' ' A' ' 144' ' ' MET . 34.0 ttm -61.26 -45.87 92.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.2 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.717 0.294 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.4 -52.72 58.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.647 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.444 HG23 ' N ' ' B' 1908 ' ' SER . 15.4 m -50.01 -48.03 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.788 0.328 . . . . 0.0 111.536 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.608 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 24.1 p -57.84 -32.55 67.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.155 0.502 . . . . 0.0 110.019 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.551 ' O ' HG22 ' B' 1912 ' ' ILE . . . -75.8 -27.33 57.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.934 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.8 mt -61.04 -51.34 74.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 110.204 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -64.03 -39.19 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.694 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.2 tt -61.05 -32.84 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.341 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.445 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -65.11 -40.83 95.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.496 178.868 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.8 72.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.024 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.61 93.93 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.341 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 16.6 m-85 -58.38 -34.27 70.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.482 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.223 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -73.1 -31.37 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.351 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 9.9 t80 -56.96 -61.8 2.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.751 0.31 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.622 ' HG3' HD11 ' A' ' 86' ' ' ILE . 4.4 tt0 -58.74 -57.23 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.642 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.95 -44.51 74.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.6 -44.2 57.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.756 0.312 . . . . 0.0 111.32 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.075 HD23 HG23 ' A' ' 142' ' ' VAL . 15.5 tp -61.29 -46.19 91.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.009 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.622 HD11 ' HG3' ' A' ' 82' ' ' GLU . 38.4 mt -61.98 -40.26 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.28 -41.12 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.786 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.36 -49.54 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.955 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.744 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -65.22 -35.8 82.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.503 179.734 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -38.21 56.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.597 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.52 -26.25 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.921 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 C--N 1.334 -0.109 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.393 -179.772 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' HA3' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.4 mp -115.42 152.24 33.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.529 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.8 tt -140.2 125.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.942 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 139.14 55.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.193 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.844 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.33 -36.7 71.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.4 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.28 -53.26 58.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.8 pt-20 -76.47 -38.78 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.572 HD11 ' SD ' ' A' ' 109' ' ' MET . 25.7 tp -55.24 -38.46 68.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.324 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.797 ' HA ' HG21 ' A' ' 121' ' ' VAL . 12.6 ttt-85 -60.65 -51.65 68.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.186 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -63.7 -45.11 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.57 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.3 t -55.28 -63.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.572 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.13 -43.96 95.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.687 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 106' ' ' ARG . 77.2 p -63.95 -53.97 41.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.608 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -60.57 -17.93 49.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.689 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 113' ' ' GLY . 3.9 pp -110.73 -175.6 2.76 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.604 0.716 . . . . 0.0 112.351 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.658 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 62.24 -136.81 45.41 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.582 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -96.81 43.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? 61.45 62.74 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.69 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.576 HD21 ' OE2' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -46.8 128.59 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.827 -179.012 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -63.61 146.57 53.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.586 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.36 -29.18 66.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -70.88 -47.66 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.576 ' OE2' HD21 ' A' ' 116' ' ' LEU . 16.3 tt0 -59.83 -41.03 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.797 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.7 p -70.54 -32.63 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.107 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.43 ' HA ' HD11 ' A' ' 125' ' ' ILE . 1.2 m-20 -67.82 -28.8 67.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.35 -47.46 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 111.419 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.537 ' CE ' HG23 ' A' ' 121' ' ' VAL . 4.1 ptt? -61.14 -45.26 95.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.709 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 122' ' ' ASP . 15.7 pt -66.53 -39.84 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.978 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.361 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -92.4 -4.88 53.09 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -78.67 -52.7 8.04 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.704 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.026 0.441 . . . . 0.0 110.547 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.844 HD11 ' HB2' ' A' ' 102' ' ' ALA . 25.5 mt . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.843 0.354 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -73.71 128.68 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.58 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.8 p90 -80.53 1.96 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -87.21 -44.62 11.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.923 0.392 . . . . 0.0 110.491 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.29 -35.59 58.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.612 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 60.5 t80 -64.15 -49.29 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.814 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 1.075 HG23 HD23 ' A' ' 85' ' ' LEU . 14.7 p -68.28 -32.91 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 0.0 110.388 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -67.32 -53.28 31.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.98 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.35 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.458 ' CE ' ' CE2' ' A' ' 141' ' ' PHE . 15.5 ttm -63.15 -34.13 76.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 142' ' ' VAL . 13.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.652 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.845 0.355 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -53.74 -58.95 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.91 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.433 HG23 ' N ' ' B' 1908 ' ' SER . 10.9 m -44.61 -50.04 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.46 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 56.8 p -59.51 -34.78 73.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.204 0.525 . . . . 0.0 109.789 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.597 ' O ' HG22 ' B' 1912 ' ' ILE . . . -72.24 -26.7 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.803 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.4 mt -62.85 -51.88 66.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.456 HG12 ' O ' ' B' 1908 ' ' SER . 11.5 p -62.18 -36.01 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.636 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.744 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.0 tt -65.16 -33.39 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.0 OUTLIER -62.92 -36.3 82.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.487 178.664 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.33 80.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.801 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.79 94.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.723 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.7 m-85 -59.82 -37.86 80.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -59.39 -45.68 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.572 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -31.63 67.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.456 ' CG ' ' HG3' ' A' ' 145' ' ' MET . 15.1 t80 -58.5 -51.64 69.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.535 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.929 -179.847 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.462 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.3 mt-10 -54.86 -53.6 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.889 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.71 -46.43 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.842 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.5 -50.42 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.708 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.577 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -54.57 -51.22 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.52 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 82' ' ' GLU . 53.6 mt -56.96 -40.73 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.55 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.24 -47.84 84.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -64.87 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.71 -40.3 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.698 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.555 HG21 ' OG ' ' B' 1908 ' ' SER . 22.2 t -63.25 -27.7 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.015 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.038 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.452 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.39 162.87 32.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.695 0.283 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.402 ' CD1' HD13 ' A' ' 105' ' ' LEU . 13.2 tt -144.92 146.94 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 t -88.28 134.88 33.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.879 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.28 -30.32 66.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.514 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.63 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.356 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.868 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.0 pt-20 -78.77 -40.03 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 100' ' ' ILE . 34.3 tp -53.32 -40.29 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.537 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.785 ' HA ' HG21 ' A' ' 121' ' ' VAL . 1.1 ttt180 -62.17 -51.46 67.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.121 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -64.26 -44.82 90.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 104' ' ' GLU . 46.6 t -56.73 -60.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 0.0 111.767 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.415 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 4.3 mmt -60.91 -48.26 82.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.297 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 106' ' ' ARG . 67.8 p -65.03 -45.26 86.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 111.654 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.03 -18.31 65.19 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.779 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.0 OUTLIER -117.74 178.42 4.41 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 121.626 0.727 . . . . 0.0 112.593 -179.35 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.681 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 72.16 -130.25 16.08 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -100.39 38.65 1.46 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 62.14 62.83 1.15 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.409 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.43 HD21 ' OE1' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -46.19 121.86 3.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.937 -179.049 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -54.06 144.25 19.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.798 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.1 -47.79 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.201 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.43 ' OE1' HD21 ' A' ' 116' ' ' LEU . 8.2 tt0 -59.73 -39.92 86.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.004 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.785 HG21 ' HA ' ' A' ' 106' ' ' ARG . 9.2 p -71.61 -32.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.441 ' HA ' HD11 ' A' ' 125' ' ' ILE . 15.3 m-20 -65.73 -33.64 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.327 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.69 -51.98 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.465 ' CE ' HG23 ' A' ' 121' ' ' VAL . 4.0 ptt? -55.08 -39.11 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.688 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.0 pt -74.02 -32.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.899 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.35 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -28.39 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 141' ' ' PHE . . . -58.7 -51.56 69.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.551 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.458 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.879 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.8 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.73 0.3 . . . . 0.0 111.7 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.03 126.6 30.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.578 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -80.33 2.55 24.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 -39.35 15.42 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.925 0.393 . . . . 0.0 110.339 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.58 -41.19 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.268 0.556 . . . . 0.0 109.54 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.458 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . 32.8 t80 -61.09 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.124 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 138' ' ' TYR . 14.4 p -68.25 -34.23 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -62.11 -54.91 34.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.369 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 2.2 ptm -66.67 -31.96 72.97 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.214 0.321 . . . . 0.0 111.1 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.9 ttm -58.2 -31.91 67.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.953 0.406 . . . . 0.0 110.727 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.6 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.843 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.859 0.361 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.6 -50.67 69.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.6 m -53.92 -41.39 48.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.798 0.333 . . . . 0.0 111.433 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.555 ' OG ' HG21 ' A' ' 91' ' ' VAL . 16.0 m -57.95 -35.31 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.017 0.437 . . . . 0.0 110.308 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.779 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.26 -24.05 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.916 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.92 -56.91 14.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.245 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.467 HG13 ' N ' ' B' 1912 ' ' ILE . 11.8 p -60.7 -45.0 98.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.638 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.594 HD11 ' CG ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -57.39 -32.05 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.235 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.425 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.6 tt0 -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.734 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -61.76 -33.41 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.313 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.68 99.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.57 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.1 m-85 -59.84 -39.32 84.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.493 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -57.59 -43.8 84.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -72.17 -32.78 67.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.263 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 12.7 t80 -60.4 -56.64 18.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.279 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.569 ' OE1' HG21 ' A' ' 146' ' ' VAL . 4.2 tt0 -59.61 -57.24 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.09 -43.89 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.391 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.8 -49.91 59.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.281 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -56.09 -50.68 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 82' ' ' GLU . 17.4 mt -58.02 -34.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.5 tt0 -73.19 -45.8 54.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.443 . . . . 0.0 110.594 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.088 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.663 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.7 OUTLIER -68.44 -35.88 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 0.0 110.65 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.65 -36.94 57.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.568 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.765 HG21 ' OG ' ' B' 1908 ' ' SER . 24.0 t -66.35 -27.79 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.029 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.659 -0.177 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 mt -119.6 148.09 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.469 HD11 HD13 ' A' ' 105' ' ' LEU . 16.7 tt -132.25 132.92 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -74.1 133.16 42.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.957 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.14 -34.6 71.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.351 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.93 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.429 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.9 pt-20 -77.96 -38.73 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.504 HD11 ' SD ' ' A' ' 109' ' ' MET . 23.4 tp -55.1 -39.37 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.778 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -61.03 -51.35 69.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.306 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -63.17 -42.67 99.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.593 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 104' ' ' GLU . 26.2 t -56.55 -63.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.975 0.417 . . . . 0.0 111.877 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.58 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.54 -48.27 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.148 -178.687 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 72.2 p -63.12 -30.89 71.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 111.523 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.78 -18.87 55.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.551 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.4 pp -119.55 -177.96 3.5 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.607 0.718 . . . . 0.0 112.49 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.636 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 69.95 -129.33 21.1 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.38 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.58 38.1 1.58 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt 61.7 62.44 1.29 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.376 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.8 OUTLIER -45.0 115.57 0.92 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.115 -178.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.4 p -56.31 151.26 13.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.528 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.421 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -69.34 -31.16 69.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.124 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.77 -49.4 70.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.73 -49.83 74.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.778 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.5 p -64.33 -31.9 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.458 ' HA ' HD11 ' A' ' 125' ' ' ILE . 31.4 t70 -69.36 -31.18 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.555 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.72 -52.37 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 111.709 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -55.66 -37.43 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.958 -179.386 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 121' ' ' VAL . 13.9 pt -74.27 -44.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -42.41 99.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.191 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -19.42 54.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.798 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.454 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -62.13 -52.0 65.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.612 0.244 . . . . 0.0 111.608 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 120.782 0.325 . . . . 0.0 110.505 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.957 HD11 ' HB2' ' A' ' 102' ' ' ALA . 23.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.807 0.337 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -74.99 128.1 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.506 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.5 OUTLIER -79.74 0.89 28.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.691 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.08 -42.1 12.61 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 120.992 0.425 . . . . 0.0 110.31 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.37 -36.96 57.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.535 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 51.0 t80 -64.67 -48.08 76.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.773 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.752 ' O ' HG22 ' A' ' 146' ' ' VAL . 10.0 p -68.65 -33.49 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -74.05 -39.82 63.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.763 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.518 ' HE2' ' CZ ' ' B' 1919 ' ' TYR . 0.5 OUTLIER -71.06 -31.71 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.248 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.438 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -79.06 -31.56 44.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.618 0.247 . . . . 0.0 111.101 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.8 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.78 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.885 0.374 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.98 -57.03 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.41 ' HA ' HD12 ' B' 1910 ' ' ILE . 11.2 p -53.78 -40.21 42.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.369 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.765 ' OG ' HG21 ' A' ' 91' ' ' VAL . 3.0 m -58.36 -36.36 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.8 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -74.33 -26.73 60.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1910 ' ' ILE . . . . . 0.41 HD12 ' HA ' ' B' 1907 ' ' VAL . 43.9 mt -62.52 -55.16 25.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.2 p -59.98 -39.11 79.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.663 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -60.91 -32.74 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.187 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -63.04 -42.98 99.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.55 178.699 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -32.89 70.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.365 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.54 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.507 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.4 m-85 -57.77 -38.33 75.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -58.0 -46.86 84.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.562 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.37 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 144' ' ' MET . 2.3 t80 -61.44 -58.36 8.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.497 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.799 0.333 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.662 ' HG3' HG11 ' A' ' 146' ' ' VAL . 3.0 mt-10 -60.79 -57.56 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.666 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -61.56 -35.63 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.665 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.49 -49.36 19.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 0.0 111.358 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.998 HD23 HG23 ' A' ' 142' ' ' VAL . 22.7 tp -60.36 -41.64 94.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.3 mt -66.96 -37.21 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.604 0.24 . . . . 0.0 110.987 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.86 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.22 -53.09 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.726 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.778 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.8 OUTLIER -62.81 -35.18 79.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.184 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -38.29 37.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.11 -22.01 22.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.635 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.193 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.687 -0.165 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.1 mp -122.24 147.01 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.407 ' CD1' HD13 ' A' ' 105' ' ' LEU . 10.3 tt -124.51 150.0 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.9 t -88.44 134.12 33.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.989 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -68.72 -39.91 80.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.291 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.62 72.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.39 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 108' ' ' VAL . 49.1 mt-10 -76.4 -38.1 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.437 HD21 ' HE1' ' A' ' 124' ' ' MET . 33.2 tp -59.43 -29.29 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.706 ' HA ' HG11 ' A' ' 121' ' ' VAL . 8.0 ttt-85 -67.93 -51.61 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.264 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -64.14 -45.78 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.46 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.9 t -55.95 -61.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.498 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.5 mmt -61.53 -48.36 81.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.229 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 106' ' ' ARG . 69.2 p -64.07 -34.2 77.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.706 0.288 . . . . 0.0 111.357 -179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -76.06 -16.82 59.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.611 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -115.79 -176.75 3.0 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.262 0.553 . . . . 0.0 111.961 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.402 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.39 -133.23 35.83 Favored Glycine 0 C--N 1.335 0.51 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.28 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -99.36 41.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm 61.89 63.72 1.09 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.618 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.8 HD13 HG22 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -46.53 116.83 1.4 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.042 0.448 . . . . 0.0 111.987 -178.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -59.4 137.68 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.87 -27.19 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.342 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.01 -48.03 69.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.14 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.34 -34.23 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.244 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.8 HG22 HD13 ' A' ' 116' ' ' LEU . 41.1 t -79.31 -32.52 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.04 -30.74 65.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.18 -40.55 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.437 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -70.9 -33.99 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.69 -179.242 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 121' ' ' VAL . 22.8 pt -74.34 -37.27 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -28.46 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.22 -21.72 20.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.68 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -57.89 -51.28 70.26 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' A' ' 102' ' ' ALA . 24.6 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.95 128.6 37.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.542 ' O ' HG12 ' A' ' 142' ' ' VAL . 8.2 p90 -85.05 7.79 20.2 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -89.44 -39.22 13.52 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.024 0.44 . . . . 0.0 110.16 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.48 -37.75 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.466 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 42.2 t80 -65.51 -48.09 73.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.766 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.998 HG23 HD23 ' A' ' 85' ' ' LEU . 13.3 p -65.99 -34.25 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.556 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -44.68 59.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.775 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -31.67 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -28.1 44.63 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.41 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.766 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.664 0.268 . . . . 0.0 111.519 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.742 0.306 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.97 -46.91 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -51.08 -51.41 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 111.253 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.554 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER -58.44 -29.62 66.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -74.08 -24.08 59.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.019 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.45 -52.01 32.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.549 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.57 -42.04 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.804 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.778 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.5 tt -60.96 -32.35 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.152 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.429 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.2 tt0 -62.91 -37.86 88.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.596 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -62.98 -35.28 79.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.973 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.93 97.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.533 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.9 m-85 -59.9 -40.58 89.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -60.61 -43.41 97.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -69.73 -32.69 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.252 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.4 -60.74 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.643 0.258 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -57.31 4.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -70.35 -31.01 68.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.94 -46.33 36.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 111.49 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.982 HD23 HG23 ' A' ' 142' ' ' VAL . 47.1 tp -64.97 -48.87 72.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.323 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.7 mt -59.61 -40.15 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.626 0.25 . . . . 0.0 111.023 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -70.9 -44.23 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 110.742 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.25 -43.69 95.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.622 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -52.61 -37.62 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.573 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.656 HG21 ' OG ' ' B' 1908 ' ' SER . 24.2 t -63.3 -26.46 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.004 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.652 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.834 -0.106 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.7 mp -109.79 150.3 28.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.313 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.762 HD11 HD13 ' A' ' 105' ' ' LEU . 16.0 tt -141.47 133.67 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 t -80.69 133.3 35.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.888 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.89 -32.89 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.24 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -53.03 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.857 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.7 pt-20 -77.55 -41.86 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.788 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 100' ' ' ILE . 37.2 tp -53.13 -29.74 32.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.48 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.759 ' HA ' HG21 ' A' ' 121' ' ' VAL . 1.8 ttt-85 -68.18 -51.78 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -65.73 -38.23 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 104' ' ' GLU . 36.5 t -58.68 -64.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.545 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.4 -48.23 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.114 -178.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 60.6 p -60.95 -43.56 98.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 111.477 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.23 -18.19 64.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.637 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.487 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -113.5 -177.52 3.15 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.545 0.688 . . . . 0.0 112.174 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.9 -136.03 35.39 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.364 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -98.06 43.18 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 61.68 63.66 1.13 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.5 OUTLIER -45.76 118.08 1.7 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.009 0.433 . . . . 0.0 111.901 -179.019 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -57.1 149.56 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.579 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.489 ' HA ' HG12 ' A' ' 121' ' ' VAL . 6.9 m-20 -69.52 -26.46 64.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.365 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.91 -39.63 69.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.718 0.294 . . . . 0.0 111.351 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -72.38 -40.84 66.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.362 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.759 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.8 p -67.23 -32.44 57.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.16 -42.67 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -44.31 96.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -68.44 -46.34 70.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' VAL . 20.4 pt -63.76 -35.23 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -35.05 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.048 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.58 -4.68 59.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.089 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -79.31 -51.5 9.35 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.746 0.308 . . . . 0.0 111.007 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.888 HD11 ' HB2' ' A' ' 102' ' ' ALA . 14.9 mt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.839 0.352 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.28 129.68 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.984 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.522 ' O ' HG12 ' A' ' 142' ' ' VAL . 2.2 p90 -83.86 7.39 18.22 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -89.29 -42.67 11.46 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.087 0.47 . . . . 0.0 110.447 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -76.96 -36.77 56.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.416 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.878 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.982 HG23 HD23 ' A' ' 85' ' ' LEU . 14.5 p -64.59 -33.77 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -72.67 -44.21 62.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.751 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -32.02 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.437 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -76.46 -31.01 57.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.651 0.262 . . . . 0.0 111.578 -179.309 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 142' ' ' VAL . 14.6 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.673 0.273 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -31.28 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.709 ' O ' HG22 ' B' 1910 ' ' ILE . 42.8 t -61.19 -63.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.999 0.428 . . . . 0.0 110.253 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.662 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -57.14 -24.51 54.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.003 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -81.75 -23.2 36.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.554 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1910 ' ' ILE . . . . . 0.761 HD13 ' O ' ' B' 1910 ' ' ILE . 0.2 OUTLIER -74.41 -36.78 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.459 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.405 HG13 ' N ' ' B' 1912 ' ' ILE . 9.3 p -73.52 -41.59 56.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.638 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.1 tt -60.68 -30.94 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.449 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 2.5 tt0 -66.61 -43.34 85.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -32.72 71.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.025 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.25 99.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.52 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.3 m-85 -60.15 -34.92 74.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.078 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -39.95 93.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.949 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -74.57 -35.72 63.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.195 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.437 ' CD1' ' HB2' ' A' ' 145' ' ' MET . 3.7 t80 -60.37 -51.24 70.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.177 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 120.727 0.298 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 86' ' ' ILE . 11.5 tt0 -54.31 -57.19 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.852 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.01 -46.4 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 111.552 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -60.78 -49.97 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -55.83 -54.04 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.417 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.6 mt -54.04 -38.62 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.203 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 91' ' ' VAL . 4.2 tm-20 -71.4 -45.42 62.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.974 0.416 . . . . 0.0 110.667 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.605 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.58 -51.9 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.24 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.587 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.01 -35.99 82.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -54.15 -37.44 64.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.73 HG21 ' CB ' ' B' 1908 ' ' SER . 18.6 t -59.02 -28.61 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.153 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.43 -179.637 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.623 -0.191 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 99' ' ' LEU . 3.3 mp -123.48 158.6 30.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 105' ' ' LEU . 14.0 tt -138.7 142.64 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 135.92 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.057 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -69.93 -42.75 72.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -52.82 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.7 mm-40 -68.85 -38.42 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.718 HD21 ' HE1' ' A' ' 124' ' ' MET . 16.5 tp -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.856 ' HA ' HG21 ' A' ' 121' ' ' VAL . 48.5 ttp85 -61.19 -51.76 67.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -60.49 -42.17 95.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.693 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.1 t -58.92 -65.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.913 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.449 ' HE3' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.97 -41.77 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.449 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.4 p -67.48 -29.87 69.42 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.187 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.33 -16.49 52.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.622 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.506 ' CD1' ' HB1' ' B' 1909 ' ' ALA . 4.2 pp -116.31 -176.46 2.96 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 0.0 111.844 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.77 -135.44 32.84 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.88 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -99.99 43.02 1.08 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt 62.12 64.17 1.01 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.469 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -46.2 130.55 10.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.875 -179.009 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.522 ' N ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -68.04 151.32 47.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.341 -179.316 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.437 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -68.53 -29.64 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.987 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -47.96 66.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.856 HG21 ' HA ' ' A' ' 106' ' ' ARG . 13.6 p -80.67 -32.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -72.48 -32.2 66.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -35.9 42.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.428 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.718 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.51 -33.67 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.506 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.694 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.8 pt -74.67 -36.97 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.355 . . . . 0.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -32.42 72.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.734 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.54 -12.49 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.716 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -71.93 -52.32 17.8 Favored 'General case' 0 C--N 1.334 -0.081 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.499 179.83 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 1.057 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.78 0.324 . . . . 0.0 111.674 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -69.07 121.76 17.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.492 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.69 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.7 OUTLIER -72.57 -6.62 45.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -81.04 -43.09 20.08 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.466 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -74.24 -38.26 63.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 109.85 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 36.3 t80 -60.52 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.994 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 138' ' ' TYR . 14.5 p -69.08 -36.1 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -57.96 -53.49 57.64 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -32.65 65.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.407 ' CG ' ' CD1' ' B' 1919 ' ' TYR . 5.8 ttm -57.94 -29.42 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.9 m . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.906 0.384 . . . . 0.0 111.415 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1905 ' ' GLU . . . . . 0.483 ' HA ' HG11 ' A' ' 91' ' ' VAL . 2.7 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.719 0.295 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1906 ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' 1909 ' ' ALA . 26.4 pt-20 -56.51 -44.51 80.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.4 t -48.85 -53.02 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.169 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.73 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -58.99 -28.63 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.189 178.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.506 ' HB1' ' CD1' ' A' ' 112' ' ' LEU . . . -73.3 -29.88 63.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.129 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.91 -53.25 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.736 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.2 p -57.26 -42.15 79.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.605 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -59.75 -33.28 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.088 0.47 . . . . 0.0 110.377 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.413 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.5 OUTLIER -63.56 -39.01 93.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.736 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.329 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.12 96.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.482 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.413 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.6 m-85 -58.11 -53.65 55.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.172 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -56.9 -34.58 68.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -33.57 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.804 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.407 ' CD1' ' CG ' ' A' ' 145' ' ' MET . 22.4 t80 -65.35 -47.38 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.371 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.735 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.759 0.314 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 86' ' ' ILE . 21.3 tt0 -57.06 -57.17 13.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.539 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.64 -43.61 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.684 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.87 -49.56 65.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.636 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 85' ' ' LEU . 2.6 tm? -56.49 -51.34 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.397 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.703 HG22 ' HE2' ' A' ' 90' ' ' LYS . 32.7 mt -54.85 -41.38 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.338 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -73.28 -43.78 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.939 0.399 . . . . 0.0 110.818 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.64 -45.8 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.236 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -70.23 -35.37 73.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 110.66 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.703 ' HE2' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -51.51 -42.3 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.934 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 t -60.61 -30.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.851 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' B' 1909 ' ' ALA . 43.4 m-85 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.608 ' C ' HD12 ' A' ' 99' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.754 HD11 ' ND2' ' A' ' 137' ' ' ASN . 9.0 mp -121.06 165.81 14.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 111.633 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.46 156.81 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -92.31 139.68 30.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.89 -47.44 59.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -48.46 81.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 108' ' ' VAL . 16.1 mt-10 -70.27 -41.44 73.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.21 -39.52 86.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.818 ' HA ' HG21 ' A' ' 121' ' ' VAL . 19.5 ttm180 -58.82 -51.3 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.259 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.459 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 23.3 t60 -62.41 -49.22 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 104' ' ' GLU . 22.6 t -55.47 -58.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.952 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.1 mmt -60.35 -47.98 83.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.167 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 106' ' ' ARG . 82.5 p -65.2 -38.1 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 111.593 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 2.0 m-80 -72.84 -15.69 61.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.474 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.3 pp -117.26 -176.18 2.95 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.351 0.596 . . . . 0.0 112.231 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.464 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.33 -132.08 35.65 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.408 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.32 40.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.41 61.93 1.2 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.525 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -45.92 119.53 2.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.972 -179.044 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.1 p -56.88 150.27 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.486 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.38 -30.26 68.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -70.03 -49.1 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.346 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.92 -44.66 94.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.818 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.6 p -65.59 -33.01 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.416 ' HA ' HD11 ' A' ' 125' ' ' ILE . 8.2 t0 -63.92 -34.05 77.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.274 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -71.07 -51.41 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.192 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.2 ptm -58.91 -45.59 89.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.836 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.3 pt -66.14 -29.83 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -40.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.68 -4.87 58.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.089 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -78.5 -51.33 10.14 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.479 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.868 HD11 ' HB2' ' A' ' 102' ' ' ALA . 13.1 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.809 0.337 . . . . 0.0 111.669 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.754 ' ND2' HD11 ' A' ' 99' ' ' LEU . 5.2 m120 -78.04 122.07 25.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.276 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.589 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -75.05 -3.86 35.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.38 -38.99 15.68 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.9 0.381 . . . . 0.0 110.353 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.56 -36.95 57.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.756 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 12.6 t80 -65.6 -49.01 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.893 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.779 ' O ' HG22 ' A' ' 146' ' ' VAL . 13.0 p -68.66 -33.04 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.685 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.51 -54.04 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -31.29 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.793 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.424 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 9.6 ttm -61.56 -40.53 95.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 142' ' ' VAL . 30.8 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.533 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.95 -43.79 77.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 23.1 t -52.88 -50.74 42.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.263 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.523 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.7 m -57.26 -30.55 64.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.49 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.51 ' O ' HG22 ' B' 1912 ' ' ILE . . . -72.97 -27.36 61.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.98 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 22.1 mt -66.6 -53.27 37.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.737 0.304 . . . . 0.0 110.687 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -58.58 -39.62 76.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.816 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.701 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -60.68 -34.68 59.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.368 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.433 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -62.54 -39.63 94.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.705 178.805 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -61.12 -33.36 73.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.148 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.93 87.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 11.1 m-85 -58.19 -35.32 71.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -59.87 -46.93 87.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.493 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.48 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.469 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 24.2 t80 -58.59 -62.81 1.58 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.885 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.632 0.253 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.57 -57.31 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.15 -45.94 62.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.542 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.071 HD23 HG23 ' A' ' 142' ' ' VAL . 20.9 tp -60.13 -48.51 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.5 mt -60.54 -39.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 110.8 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.49 -50.42 73.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.808 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.6 OUTLIER -64.23 -35.91 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.201 0.524 . . . . 0.0 110.472 179.528 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -38.72 58.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.735 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.422 HG12 ' OE1' ' B' 1905 ' ' GLU . 18.9 t -59.2 -31.17 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.789 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.693 -0.163 . . . . 0.0 112.693 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mp -117.65 166.63 12.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.978 0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 tt -144.18 150.03 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.83 135.21 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.024 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.85 -33.31 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.261 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.3 59.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.864 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -73.75 -38.47 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.88 -33.14 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.807 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -65.62 -50.55 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -65.0 -43.4 92.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.29 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 104' ' ' GLU . 35.5 t -58.79 -59.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.632 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.476 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.2 mmt -60.78 -48.35 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.075 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 106' ' ' ARG . 75.2 p -62.77 -47.93 81.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -63.13 -17.85 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.807 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 113' ' ' GLY . 3.8 pp -117.55 -175.62 2.85 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.456 0.646 . . . . 0.0 112.285 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.66 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 66.7 -134.09 32.49 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.278 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -99.1 41.96 1.12 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm 61.83 62.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.624 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -47.33 117.94 1.97 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.822 -179.157 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -56.84 152.66 12.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.516 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.53 -28.98 66.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.304 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.34 -47.97 45.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.27 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.12 -41.88 93.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.222 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.807 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.6 p -68.25 -32.8 57.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -40.07 79.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.605 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.29 -52.11 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.456 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.622 ' HE2' HG23 ' A' ' 121' ' ' VAL . 4.4 ptt? -60.16 -50.51 73.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.88 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 121' ' ' VAL . 18.8 pt -58.77 -27.48 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 0.0 111.62 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -42.83 62.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.04 -4.77 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.859 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.451 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -70.11 -52.01 27.11 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.982 0.42 . . . . 0.0 110.332 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 1.024 HD11 ' HB2' ' A' ' 102' ' ' ALA . 23.6 mt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.839 0.352 . . . . 0.0 111.673 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -79.67 125.38 29.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.612 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -76.71 -0.99 25.68 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -87.17 -40.7 14.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.257 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.43 -36.27 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 8.9 t80 -65.3 -48.15 74.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.904 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 1.071 HG23 HD23 ' A' ' 85' ' ' LEU . 10.3 p -67.95 -36.21 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -59.16 -53.07 62.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.579 ' HE3' ' HA ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -71.98 -31.83 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.625 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.579 ' HA ' ' HE3' ' A' ' 144' ' ' MET . 1.7 ttp -58.39 -39.26 79.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 111.201 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 142' ' ' VAL . 4.5 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.385 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1905 ' ' GLU . . . . . 0.422 ' OE1' HG12 ' A' ' 91' ' ' VAL . 3.5 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.711 0.291 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -37.65 77.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.27 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.739 ' O ' HG22 ' B' 1910 ' ' ILE . 37.5 t -58.77 -60.86 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.631 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.3 m -55.01 -24.46 24.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.571 ' O ' HG22 ' B' 1912 ' ' ILE . . . -78.54 -27.91 46.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.66 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1910 ' ' ILE . . . . . 0.838 HD13 ' O ' ' B' 1910 ' ' ILE . 0.1 OUTLIER -74.67 -34.98 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.784 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -70.66 -38.75 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.808 HD11 ' CD2' ' A' ' 89' ' ' PHE . 3.0 tt -63.23 -32.85 57.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.837 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 5.6 tt0 -62.7 -40.03 95.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.464 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -60.68 -33.75 73.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.041 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1915 ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -59.11 -48.3 82.11 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.472 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.1 m-85 -56.14 -39.27 72.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.699 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -59.4 -39.32 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.203 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -73.06 -34.09 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 20.3 t80 -58.94 -59.78 4.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.675 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -55.69 -57.3 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.459 -179.558 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.91 -47.93 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.699 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.4 -48.08 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.464 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 89' ' ' PHE . 2.5 tm? -57.51 -49.7 75.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.8 mt -58.39 -40.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.697 0.284 . . . . 0.0 111.162 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -69.91 -47.39 62.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.042 0.448 . . . . 0.0 110.6 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.24 -51.73 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.638 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.1 OUTLIER -62.68 -35.83 80.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.326 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -50.89 -42.66 59.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.713 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.428 HG21 ' OG ' ' B' 1908 ' ' SER . 22.2 t -60.61 -26.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.022 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 CA--C 1.528 0.108 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.22 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.707 -0.157 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.629 HD23 ' OD1' ' A' ' 137' ' ' ASN . 1.8 mp -123.89 165.28 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.429 HD13 ' CE1' ' A' ' 89' ' ' PHE . 4.7 tt -144.57 143.23 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.115 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.27 136.95 33.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.792 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.08 -35.13 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.282 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.47 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.238 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.892 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 mm-40 -78.13 -36.18 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.609 HD21 ' HE1' ' A' ' 124' ' ' MET . 30.7 tp -58.28 -37.76 75.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.231 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.812 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -61.0 -51.3 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.68 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -63.16 -45.32 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.335 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 104' ' ' GLU . 23.6 t -56.79 -61.5 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.899 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.41 ' HG2' HD12 ' A' ' 105' ' ' LEU . 13.5 mmt -59.91 -48.26 82.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 106' ' ' ARG . 67.4 p -64.39 -40.2 95.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 111.384 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.09 -13.81 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.917 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.3 pp -117.09 -175.63 2.83 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.398 0.618 . . . . 0.0 112.154 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.5 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 63.47 -134.89 41.96 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.239 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -98.68 43.33 1.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 61.65 61.27 1.48 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.639 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 117' ' ' THR . 0.5 OUTLIER -46.59 125.37 6.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.016 -179.07 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.406 ' N ' HD23 ' A' ' 116' ' ' LEU . 1.2 p -61.18 151.93 30.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.399 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' HG12 ' A' ' 121' ' ' VAL . 14.3 t70 -68.97 -31.01 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.946 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -47.42 69.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.87 -39.61 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.812 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.9 p -78.36 -32.59 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -72.26 -30.09 64.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -79.64 -36.05 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.631 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.609 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.29 -33.69 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.688 -179.303 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' VAL . 18.6 pt -74.58 -42.99 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.508 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.995 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.68 -25.17 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.315 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.2 70.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.633 0.254 . . . . 0.0 111.413 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.432 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.801 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.6 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.629 ' OD1' HD23 ' A' ' 99' ' ' LEU . 1.3 m120 -68.89 127.05 31.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.54 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.436 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -82.45 4.91 22.32 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.2 -39.49 13.51 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.62 -41.4 46.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.419 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.446 ' CE2' ' CE ' ' A' ' 145' ' ' MET . 45.6 t80 -63.44 -46.49 86.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.942 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.539 ' O ' HG22 ' A' ' 146' ' ' VAL . 8.7 p -66.37 -34.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -70.2 -41.98 72.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.887 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.451 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.8 ptm -71.44 -33.54 69.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.604 ' HG3' HG13 ' A' ' 146' ' ' VAL . 13.1 ptp -69.58 -35.34 75.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.604 HG13 ' HG3' ' A' ' 145' ' ' MET . 30.0 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.825 0.345 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.44 -54.59 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.4 p -48.82 -41.19 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 111.294 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.531 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.5 m -61.42 -36.01 79.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.307 0.575 . . . . 0.0 109.568 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.536 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.22 -26.22 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.606 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.95 -51.49 72.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 120.703 0.287 . . . . 0.0 110.315 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.42 HG12 ' O ' ' B' 1908 ' ' SER . 11.3 p -64.22 -36.83 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.869 0.366 . . . . 0.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.638 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.1 tt -63.21 -33.63 62.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.91 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.43 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -64.0 -40.58 96.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.537 178.761 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -33.69 74.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.849 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.126 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.1 m-85 -61.72 -36.29 80.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.992 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -59.47 -43.31 93.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.36 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -74.14 -29.13 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.331 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.451 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 6.2 t80 -63.61 -43.77 95.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.256 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.024 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.632 0.253 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.8 tt0 -61.45 -56.93 14.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.248 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -70.12 -29.67 66.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.367 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.69 -50.28 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.194 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.929 HD23 HG23 ' A' ' 142' ' ' VAL . 28.4 tp -59.98 -49.0 79.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.175 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 82' ' ' GLU . 26.7 mt -59.66 -38.51 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.937 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.54 -46.35 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.414 . . . . 0.0 110.813 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.44 -45.68 92.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.75 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.7 OUTLIER -65.5 -35.55 81.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.116 0.484 . . . . 0.0 110.436 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -39.97 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.424 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.38 -29.02 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.71 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.423 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.71 -0.156 . . . . 0.0 112.71 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 99' ' ' LEU . 4.5 mp -125.66 153.73 43.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.725 0.298 . . . . 0.0 110.769 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 105' ' ' LEU . 11.7 tt -135.59 142.23 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.271 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.21 135.45 36.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.955 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.16 -40.29 71.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.216 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.98 -53.07 62.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.867 ' O ' HG23 ' A' ' 108' ' ' VAL . 23.9 mt-10 -72.59 -40.97 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.614 HD21 ' HE1' ' A' ' 124' ' ' MET . 46.2 tp -57.97 -28.49 64.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.398 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.764 ' HA ' HG21 ' A' ' 121' ' ' VAL . 52.3 ttp180 -70.33 -51.74 27.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.338 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -63.74 -36.73 84.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 104' ' ' GLU . 41.4 t -63.85 -63.61 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -59.97 -45.64 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.089 -178.669 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 106' ' ' ARG . 73.2 p -63.88 -36.59 84.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.371 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -73.36 -16.9 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.414 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.51 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -115.4 -177.1 3.06 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-O 121.457 0.646 . . . . 0.0 112.214 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.93 -134.3 37.34 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.42 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -98.37 42.79 1.08 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 61.65 61.25 1.48 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.576 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.549 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -45.77 117.94 1.65 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.052 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -60.94 153.59 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.124 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.473 ' HA ' HG12 ' A' ' 121' ' ' VAL . 19.9 t0 -68.72 -29.08 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.73 -48.22 69.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.75 -41.83 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.188 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.764 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.6 p -76.07 -32.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.62 -30.8 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.24 -37.59 44.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.606 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.614 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -75.11 -33.98 61.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.675 -179.416 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.722 HG23 ' O ' ' A' ' 121' ' ' VAL . 20.7 pt -74.36 -36.3 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 111.669 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -29.31 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -21.58 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.613 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.67 68.8 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.955 HD11 ' HB2' ' A' ' 102' ' ' ALA . 28.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.331 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.58 130.68 43.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.294 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.519 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -84.18 6.65 21.73 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -41.67 12.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.981 0.419 . . . . 0.0 110.347 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.87 -36.22 56.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -66.77 -49.19 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.8 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.929 HG23 HD23 ' A' ' 85' ' ' LEU . 14.1 p -64.33 -36.58 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.494 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -72.99 -42.72 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.857 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.473 ' HE3' ' C ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -71.77 -31.93 67.14 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.009 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -28.73 54.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.621 0.248 . . . . 0.0 111.645 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 142' ' ' VAL . 14.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.279 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.814 0.34 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -66.57 -49.5 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 14.6 m -54.14 -45.4 66.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.844 0.354 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.41 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 55.8 p -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.183 0.516 . . . . 0.0 109.898 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -75.14 -18.71 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.137 179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.94 -47.55 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.068 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.1 p -65.31 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 89' ' ' PHE . 3.3 tt -62.15 -33.21 57.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.115 0.483 . . . . 0.0 110.065 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.436 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -61.99 -43.38 98.95 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.347 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -28.68 68.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.215 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1915 ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -64.13 -44.56 91.83 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.217 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -59.19 -34.86 72.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.476 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -60.43 -49.97 75.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -33.73 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.398 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.441 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 10.8 t80 -59.1 -49.96 75.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.541 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.951 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.329 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.486 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -56.32 -57.51 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.584 -179.617 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.95 -46.73 86.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.637 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.81 -50.28 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.525 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.565 HD13 ' C ' ' A' ' 85' ' ' LEU . 2.6 tm? -57.18 -53.09 62.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.443 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 82' ' ' GLU . 29.8 mt -55.14 -39.62 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.381 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -72.85 -42.9 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.138 0.494 . . . . 0.0 110.761 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.07 -45.55 92.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.967 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.644 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -69.26 -35.31 75.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.671 179.833 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.39 -42.47 61.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.2 t -59.53 -27.36 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.401 ' CZ ' ' OG ' ' B' 1908 ' ' SER . 52.2 m-85 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.022 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.441 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.407 -0.277 . . . . 0.0 112.407 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.1 mt -112.9 152.88 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 tt -145.76 133.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -74.53 138.49 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.004 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.25 -36.96 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.262 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -53.04 62.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.865 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -73.73 -38.93 64.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.9 tp -57.57 -31.88 66.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.816 ' HA ' HG21 ' A' ' 121' ' ' VAL . 8.7 ttp180 -68.47 -51.23 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -63.65 -44.93 92.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.349 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 104' ' ' GLU . 38.3 t -56.96 -61.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.755 -179.424 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.441 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.2 mmt -60.92 -48.23 82.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.189 -178.777 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 106' ' ' ARG . 70.8 p -64.53 -38.77 92.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.603 -179.377 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -71.31 -17.51 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.725 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.3 pp -118.58 179.48 4.11 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-O 121.516 0.674 . . . . 0.0 112.267 -179.489 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.655 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 71.78 -129.83 16.58 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.227 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -101.42 39.21 1.46 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm 62.23 61.86 1.25 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.461 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.541 HD21 ' OE1' ' A' ' 120' ' ' GLU . 0.4 OUTLIER -45.92 119.01 2.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.977 -179.015 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 p -56.13 147.76 19.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.618 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.36 -27.12 65.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.78 -48.43 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.541 ' OE1' HD21 ' A' ' 116' ' ' LEU . 3.9 tt0 -59.92 -44.21 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.816 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.1 p -65.25 -32.54 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.31 -36.66 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.07 -52.21 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.631 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.698 ' HE2' HG23 ' A' ' 121' ' ' VAL . 3.7 ptt? -60.19 -46.07 90.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.796 -179.252 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.3 pt -63.89 -27.59 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.713 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -42.39 59.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.77 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -81.45 -23.06 37.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.445 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -58.67 -51.61 69.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.656 0.265 . . . . 0.0 111.479 -179.564 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.348 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.9 mt . . . . . 0 CA--C 1.522 -0.096 0 CA-C-O 120.843 0.354 . . . . 0.0 111.508 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -84.96 125.08 32.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.295 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.493 ' O ' HG12 ' A' ' 142' ' ' VAL . 3.4 p90 -77.03 -1.12 27.25 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -88.85 -39.79 13.59 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 120.856 0.36 . . . . 0.0 110.052 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.16 -38.95 50.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.723 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 11.2 t80 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.867 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.527 ' O ' HG22 ' A' ' 146' ' ' VAL . 13.5 p -68.58 -33.78 61.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.676 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -53.7 55.07 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -32.02 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.061 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.422 ' HG2' ' CD1' ' B' 1919 ' ' TYR . 1.9 mtm -57.24 -34.33 68.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.8 m . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.395 -179.653 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.989 0.424 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.06 -51.15 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 16.7 m -53.71 -42.29 50.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.803 0.335 . . . . 0.0 111.563 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.64 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 17.0 p -57.11 -36.2 70.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.571 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.777 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.81 -25.34 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.118 179.429 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.0 mt -61.31 -56.86 15.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 110.154 179.235 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -61.75 -37.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.461 179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.644 HD11 ' CG ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -62.08 -34.75 65.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.16 0.505 . . . . 0.0 109.843 179.636 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B 1913 ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.1 tt0 -60.82 -41.37 95.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.618 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -60.91 -33.76 73.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.207 178.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1915 ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -59.82 -44.84 93.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.609 179.458 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.0 m-85 -60.32 -35.66 76.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -60.91 -43.81 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.21 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -70.94 -32.42 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.174 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' A' ' 145' ' ' MET . 17.7 t80 -57.78 -62.16 2.0 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.417 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.741 179.639 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.793 0.33 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.06 82.44 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -50.89 173.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.659 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -145.3 39.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.18 -30.47 70.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.072 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.67 -43.42 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.129 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.9 tt0 -57.31 -57.22 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.555 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -63.62 -42.89 98.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.508 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -68.26 -35.18 77.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.069 HD23 HG23 ' A' ' 142' ' ' VAL . 13.6 tp -70.51 -48.01 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 82' ' ' GLU . 9.1 mt -62.09 -40.7 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.81 -44.68 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.18 -42.32 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.001 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.723 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.2 OUTLIER -70.67 -36.41 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.29 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -52.95 -37.59 61.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.477 HG21 ' OG ' ' B' 1908 ' ' SER . 21.7 t -58.84 -28.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.087 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' B' 1905 ' ' GLU . 68.9 m-85 -104.87 29.19 6.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -74.16 135.68 42.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -126.87 -45.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -31.44 70.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.09 -43.03 1.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.429 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -74.57 -36.9 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.449 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 140.8 56.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -131.45 162.52 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.436 HD13 ' CE1' ' A' ' 89' ' ' PHE . 4.0 tt -140.39 145.42 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m -85.28 125.54 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.979 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -67.06 -34.51 77.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.27 -53.11 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.5 mt-10 -78.12 -37.83 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.607 HD11 ' SD ' ' A' ' 109' ' ' MET . 38.5 tp -58.01 -30.1 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.201 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 110' ' ' THR . 0.2 OUTLIER -65.85 -51.7 56.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.023 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -65.63 -39.56 91.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.8 t -58.4 -62.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.567 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.607 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.88 -48.3 82.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.969 -179.03 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.1 p -61.59 -39.94 92.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.734 0.302 . . . . 0.0 111.439 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.99 -17.01 62.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.694 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.589 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.4 pp -115.43 -177.57 3.17 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.476 0.655 . . . . 0.0 112.155 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.405 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.52 -134.95 35.89 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.666 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.9 42.27 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 61.4 63.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.934 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.472 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -48.49 119.83 3.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.657 -179.348 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.7 p -55.56 145.25 23.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.761 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.454 ' OD1' HG21 ' A' ' 110' ' ' THR . 19.4 m-20 -69.44 -29.17 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.273 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -73.94 -47.91 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -59.81 -39.67 85.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.132 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.5 p -69.42 -32.52 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.418 ' HA ' HD11 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -67.06 -30.98 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.455 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.5 -52.07 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.446 ' CE ' ' CZ ' ' B' 1916 ' ' TYR . 3.7 ptt? -56.87 -39.66 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.609 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.574 HD12 ' HB1' ' A' ' 102' ' ' ALA . 18.1 pt -74.02 -33.02 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.719 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' HA ' HD12 ' A' ' 130' ' ' ILE . 4.9 ttm-85 -66.87 -41.04 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.9 -21.06 44.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.624 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.506 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -60.72 -51.54 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.22 -81.02 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.242 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 126' ' ' ARG . 28.8 mt 59.73 93.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.88 146.78 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.91 -95.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.88 -75.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.805 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -164.77 28.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.735 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -73.98 132.75 42.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.798 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.979 HD11 ' HB2' ' A' ' 102' ' ' ALA . 30.8 mt -137.53 112.79 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.502 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.96 123.77 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.288 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.612 ' O ' HG12 ' A' ' 142' ' ' VAL . 2.2 p90 -77.66 -0.97 28.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.61 -42.35 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.894 0.378 . . . . 0.0 110.582 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.13 -38.42 56.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.806 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.15 -49.33 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.954 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 1.069 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -68.25 -34.25 65.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 0.0 110.358 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.27 -53.49 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.8 ptm -70.13 -31.69 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.434 ' SD ' HD22 ' A' ' 85' ' ' LEU . 47.6 ttm -58.48 -32.45 68.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.3 m -107.53 -32.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.5 t -63.82 -30.18 71.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.1 tttt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.895 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -59.91 138.14 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 5.5 mttm -73.35 77.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -62.64 -20.86 65.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.436 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1905 ' ' GLU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 7.2 mt-10 -54.76 -52.24 63.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.722 0.296 . . . . 0.0 111.429 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' B' 1909 ' ' ALA . 3.8 pt-20 -60.19 -41.11 92.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 20.4 t -53.45 -57.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.424 . . . . 0.0 111.269 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.477 ' OG ' HG21 ' A' ' 91' ' ' VAL . 3.2 m -57.58 -27.11 62.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.578 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -70.67 -28.4 64.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 49.0 mt -72.46 -51.53 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 110.5 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.472 HG13 ' N ' ' B' 1912 ' ' ILE . 12.1 p -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.723 HD11 ' CD2' ' A' ' 89' ' ' PHE . 6.5 tt -59.08 -31.99 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.2 tt0 -63.7 -36.64 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.497 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -62.61 -35.65 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.88 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.67 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.5 m-85 -58.97 -39.34 81.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.672 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -59.2 -44.36 92.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.578 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -72.4 -33.04 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.451 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 34.6 t80 -60.49 -54.59 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -31.33 71.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 52.2 mt -82.55 -77.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -6.18 -74.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.191 1.396 . . . . 0.0 114.731 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -73.75 66.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.93 76.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -109.62 -65.86 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 34.2 mttm -160.87 133.18 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.217 -0.897 . . . . 0.0 112.092 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -127.11 27.94 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 57.2 -172.97 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.862 0.363 . . . . 0.0 111.162 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -176.8 37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.761 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.33 -50.15 66.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -40.75 74.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.354 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 86' ' ' ILE . 24.9 tt0 -65.53 -55.78 15.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.645 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -67.94 -34.4 76.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.34 -49.81 21.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 111.315 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.748 HD11 ' CE2' ' A' ' 89' ' ' PHE . 59.4 tp -59.26 -50.32 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.204 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 82' ' ' GLU . 36.6 mt -59.97 -39.51 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.09 -45.36 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.703 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.575 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.51 -40.66 92.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.748 ' CE2' HD11 ' A' ' 85' ' ' LEU . 2.0 m-85 -72.15 -35.59 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -35.82 62.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.818 HG21 ' OG ' ' B' 1908 ' ' SER . 24.6 t -64.5 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.611 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.31 28.63 6.69 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -78.57 84.85 4.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 110.659 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -83.14 -40.12 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.314 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.761 ' OD2' HD12 ' A' ' 99' ' ' LEU . 3.1 t70 -57.96 -22.7 50.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.464 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.09 -45.35 2.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.172 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -80.07 -46.79 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.54 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.432 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 150.57 43.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.895 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.761 HD12 ' OD2' ' A' ' 95' ' ' ASP . 4.4 mt -122.91 151.38 41.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.472 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.53 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.7 tt -138.43 129.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.388 . . . . 0.0 111.375 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.31 139.33 52.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.043 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.85 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.2 -34.48 70.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.23 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.332 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.0 pt-20 -73.99 -44.31 55.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.554 HD11 ' SD ' ' A' ' 109' ' ' MET . 23.4 tp -55.22 -33.46 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.456 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.806 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -65.33 -51.61 59.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.011 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 104' ' ' GLU . 42.3 t -56.55 -63.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.717 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.554 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.72 -48.13 83.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.955 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.1 p -61.09 -44.32 97.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.307 . . . . 0.0 111.368 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -67.29 -17.62 64.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.618 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.496 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.4 pp -115.09 -176.22 2.86 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.468 0.651 . . . . 0.0 112.211 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.462 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 64.85 -133.88 37.52 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.531 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -98.33 41.84 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 61.72 60.88 1.52 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.642 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -46.76 124.79 6.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.913 -179.066 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.9 p -65.24 153.63 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.261 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.452 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.2 t70 -69.05 -30.28 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.009 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.34 -49.0 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.83 95.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.806 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.7 p -73.67 -32.25 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.005 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -72.36 -34.89 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -73.2 -38.46 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.706 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.414 ' CE ' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -75.09 -33.97 61.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.247 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.821 HD12 ' HB1' ' A' ' 102' ' ' ALA . 22.0 pt -74.6 -28.03 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.605 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.42 -29.05 59.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -82.38 -28.8 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.345 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -66.33 -51.71 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 111.431 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.2 OUTLIER 172.2 -58.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.215 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.563 HD12 ' CB ' ' A' ' 102' ' ' ALA . 5.8 tt 44.87 39.12 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.208 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.08 143.2 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.61 60.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.0 30.16 19.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.1 57.43 4.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.66 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.466 ' HB3' HD22 ' A' ' 99' ' ' LEU . 16.4 m170 -123.63 111.6 16.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 110.618 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.85 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.8 mt -117.44 108.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.342 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.547 ' N ' HD23 ' A' ' 99' ' ' LEU . 2.1 t-20 -74.23 126.11 29.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.408 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.611 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.3 p90 -78.5 0.33 26.47 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -86.77 -40.59 14.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.124 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.79 -39.72 50.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.47 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.448 ' CZ ' ' CE ' ' A' ' 145' ' ' MET . 25.8 t80 -61.41 -48.61 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.092 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.886 ' O ' HG22 ' A' ' 146' ' ' VAL . 10.3 p -67.51 -36.51 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 110.142 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -62.38 -53.49 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -32.94 69.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.364 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.616 ' HE3' HD22 ' A' ' 85' ' ' LEU . 1.8 ttp -60.08 -52.96 63.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 142' ' ' VAL . 23.4 m -84.87 -32.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.76 37.23 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.742 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 pttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.919 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.2 tptm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.25 89.14 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -148.41 107.84 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1904 ' ' GLN . . . . . 0.416 ' HA ' HG12 ' B' 1907 ' ' VAL . 4.4 mm100 -68.81 -21.74 64.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.507 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -58.46 -65.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 0.0 111.657 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.92 -54.85 37.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.478 HG13 ' N ' ' B' 1908 ' ' SER . 14.4 p -50.38 -46.87 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 111.507 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.818 ' OG ' HG21 ' A' ' 91' ' ' VAL . 2.7 m -59.51 -31.7 69.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.083 0.468 . . . . 0.0 110.171 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -74.5 -24.45 59.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.024 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.2 mm -67.39 -50.89 58.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.2 p -63.83 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.706 ' CG1' HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -60.71 -34.85 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.442 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.451 ' HG3' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -63.31 -39.3 94.18 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.692 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -61.41 -33.36 73.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.08 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.59 92.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.402 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.8 m-85 -57.1 -36.77 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.539 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -49.41 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.03 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1918 ' ' ARG . . . . . 0.401 ' HA ' HD21 ' B' 1921 ' ' LEU . 1.0 OUTLIER -62.19 -35.03 77.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.422 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 38.7 t80 -62.85 -60.9 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.209 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.83 -37.52 66.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.468 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1921 ' ' LEU . . . . . 0.544 HD12 ' C ' ' B' 1921 ' ' LEU . 4.2 pp -85.19 144.6 28.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.791 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.09 -178.64 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.142 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -59.72 154.4 18.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.89 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.248 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 31.7 t -60.83 110.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 5.9 mtpt 59.02 45.55 14.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.036 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.885 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.777 0.322 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -133.12 78.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.632 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -78.68 -174.39 3.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.229 0.538 . . . . 0.0 111.22 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -124.97 71.56 1.19 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.822 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -56.03 -19.58 13.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.964 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -98.45 -61.67 1.35 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 111.502 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.649 ' HG3' HD11 ' A' ' 86' ' ' ILE . 1.4 tt0 -62.54 -57.77 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.117 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.97 -38.56 76.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.98 -50.03 17.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 111.538 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.914 HD23 HG23 ' A' ' 142' ' ' VAL . 28.0 tp -59.28 -48.48 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.143 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.649 HD11 ' HG3' ' A' ' 82' ' ' GLU . 42.1 mt -58.87 -40.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.694 0.283 . . . . 0.0 110.61 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -46.33 68.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.54 -52.22 66.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.757 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -60.59 -35.52 76.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.158 0.504 . . . . 0.0 110.35 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -41.82 62.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.753 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.51 -27.24 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.165 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.447 ' CE1' HG11 ' A' ' 108' ' ' VAL . 77.2 m-85 -101.96 28.96 5.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -69.02 147.97 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -131.81 -60.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.469 ' CB ' HD13 ' A' ' 99' ' ' LEU . 13.0 m-20 -60.09 -30.23 69.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.53 -45.57 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.376 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -64.61 -32.11 73.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.809 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.456 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 133.46 46.25 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.644 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 135' ' ' HIS . 4.0 mp -118.43 152.83 35.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.432 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 tt -132.23 141.83 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.09 135.86 35.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.22 -41.1 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.31 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.507 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.861 ' O ' HG23 ' A' ' 108' ' ' VAL . 49.1 mt-10 -77.11 -40.42 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 124' ' ' MET . 47.6 tp -56.63 -40.21 75.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.289 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.873 ' HA ' HG21 ' A' ' 121' ' ' VAL . 3.5 ttt180 -60.11 -51.27 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.74 -44.74 92.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.046 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 104' ' ' GLU . 40.3 t -59.25 -58.74 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.475 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.404 ' HG2' HD12 ' A' ' 105' ' ' LEU . 7.8 mmt -59.95 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.816 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 106' ' ' ARG . 80.8 p -67.33 -30.02 69.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.19 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -79.89 -13.63 59.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.708 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.447 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -120.18 -176.15 3.14 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.244 0.545 . . . . 0.0 111.825 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.47 -134.96 33.37 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.82 43.22 1.07 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt 62.15 61.64 1.3 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.619 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 117' ' ' THR . 0.6 OUTLIER -47.13 131.81 12.54 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.02 -179.083 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.488 ' N ' HD23 ' A' ' 116' ' ' LEU . 3.4 p -70.23 149.9 46.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.231 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.76 -32.67 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.74 -47.5 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.713 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.873 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.4 p -67.06 -32.72 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.03 -52.31 65.78 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.04 -35.17 77.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.728 ' HE3' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -64.86 -54.34 32.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.5 pt -67.22 -27.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.913 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.27 -39.37 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -22.83 25.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.592 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.521 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -59.59 -51.82 68.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.2 OUTLIER 173.51 -61.61 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.039 0.447 . . . . 0.0 110.158 179.71 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 129' ' ' ASP . 5.1 tt 44.35 39.36 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.111 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -54.69 173.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.405 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.64 72.77 0.25 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.836 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 178.83 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 0.0 110.667 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 116.61 -25.49 9.05 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.567 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.582 ' HB3' HD22 ' A' ' 99' ' ' LEU . 42.5 m-70 -66.44 127.07 30.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.699 0.285 . . . . 0.0 110.587 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.793 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.9 mt -121.16 101.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.627 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.97 107.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.291 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.763 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.7 p90 -57.8 -19.89 31.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.896 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.25 95.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.382 . . . . 0.0 110.728 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -71.94 -41.73 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.38 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.478 ' CZ ' ' HG2' ' A' ' 124' ' ' MET . 24.5 t80 -65.82 -48.39 71.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.914 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -67.86 -36.89 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.396 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.71 68.62 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -31.41 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.451 ' SD ' HD22 ' A' ' 85' ' ' LEU . 50.6 ttm -57.84 -32.47 67.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 142' ' ' VAL . 6.1 m -111.03 -29.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.354 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.37 31.16 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.111 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 22.7 mttt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.853 0.358 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -109.61 32.14 5.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.93 157.24 17.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1904 ' ' GLN . . . . . 0.488 ' HA ' HG22 ' B' 1907 ' ' VAL . 0.0 OUTLIER -86.47 15.52 5.4 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.207 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.07 -49.49 67.42 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.766 0.317 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.2 -56.56 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.488 HG22 ' HA ' ' B' 1904 ' ' GLN . 12.8 m -46.32 -49.0 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 111.625 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.499 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 97.8 p -60.1 -32.22 70.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.252 0.549 . . . . 0.0 109.955 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.593 ' O ' HG22 ' B' 1912 ' ' ILE . . . -74.51 -23.73 58.88 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.955 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.83 -51.85 51.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.933 0.397 . . . . 0.0 110.122 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -61.71 -38.52 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.757 HD11 ' CG ' ' A' ' 89' ' ' PHE . 2.4 tt -61.98 -33.01 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.352 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.44 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.3 tt0 -63.18 -41.17 99.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.379 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -61.44 -32.95 72.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.08 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1915 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -60.5 -44.38 96.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.447 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.458 ' CZ ' ' HE2' ' A' ' 124' ' ' MET . 9.7 m-85 -58.78 -39.11 80.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.364 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -44.63 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.472 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -31.49 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.9 t80 -58.73 -61.57 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.681 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.2 mt -63.67 -42.16 98.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.212 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1921 ' ' LEU . . . . . 0.425 HD22 ' N ' ' B' 1921 ' ' LEU . 3.4 mm? -85.48 -177.65 6.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.926 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 11.0 tttp -176.37 176.59 1.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -50.15 3.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.6 tptt 62.23 123.42 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.889 0.376 . . . . 0.0 111.204 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -60.06 -43.28 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? 60.5 82.28 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 3.0 mmmt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.866 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -100.45 -38.06 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 61.23 -177.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.45 56.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.991 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.76 -13.1 62.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.911 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 p -109.84 -44.09 3.89 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -58.73 -57.22 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.331 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.32 -35.45 80.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.84 -49.91 22.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 111.324 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.791 HD23 HG23 ' A' ' 142' ' ' VAL . 37.6 tp -57.68 -49.78 75.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.466 HD12 ' O ' ' A' ' 82' ' ' GLU . 31.4 mt -58.48 -40.46 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 91' ' ' VAL . 7.2 tt0 -69.65 -43.18 73.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.719 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.513 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.54 -46.12 91.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.033 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 85' ' ' LEU . 2.4 m-85 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.65 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -53.22 -36.36 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.484 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.747 HG21 ' OG ' ' B' 1908 ' ' SER . 21.8 t -69.5 -26.85 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -100.45 28.99 4.63 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -78.65 142.25 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -124.87 -44.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.568 ' OD2' HD12 ' A' ' 99' ' ' LEU . 26.0 t70 -71.19 -30.37 66.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.35 -52.22 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -59.91 -49.1 79.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.452 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 154.55 46.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.601 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.723 HD13 ' CG ' ' A' ' 135' ' ' HIS . 29.5 mt -116.09 152.09 34.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 111.04 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.672 HD11 HD13 ' A' ' 105' ' ' LEU . 12.4 tt -138.15 120.32 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.1 t -64.38 130.77 45.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.037 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.45 -31.76 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.27 60.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.902 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.2 pt-20 -76.97 -39.91 48.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.672 HD13 HD11 ' A' ' 100' ' ' ILE . 23.7 tp -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.518 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.774 ' HA ' HG21 ' A' ' 121' ' ' VAL . 8.5 ttp180 -63.06 -51.56 66.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -64.12 -42.34 96.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 104' ' ' GLU . 38.7 t -54.67 -64.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 111.714 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.519 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.75 -48.0 83.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.16 -179.013 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 69.4 p -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -76.18 -19.83 58.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.551 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.803 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.3 pp -117.76 -178.06 3.39 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.637 0.732 . . . . 0.0 112.478 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.652 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 68.74 -129.75 24.88 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.599 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.02 39.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 59.91 60.06 2.27 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.428 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.5 OUTLIER -45.08 130.49 7.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.15 -178.768 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -75.93 155.53 35.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.405 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.467 ' HA ' HG12 ' A' ' 121' ' ' VAL . 33.8 m-20 -68.6 -30.83 69.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.71 -40.06 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.15 -52.93 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.774 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.0 p -65.21 -33.01 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.37 -52.61 64.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.81 -33.36 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.254 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.767 ' HE3' HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -65.58 -54.19 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.258 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.8 pt -69.85 -26.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.936 ' HA ' HD11 ' A' ' 130' ' ' ILE . 7.9 mtt85 -74.14 -38.91 63.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.398 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.94 -4.51 32.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 124' ' ' MET . . . -70.44 -51.55 28.53 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.742 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t0 178.41 -68.61 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.857 0.361 . . . . 0.0 111.19 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.936 HD11 ' HA ' ' A' ' 126' ' ' ARG . 22.4 mt 69.07 141.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -176.64 111.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.24 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.6 -121.58 25.08 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.896 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.2 -25.64 34.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.651 0.262 . . . . 0.0 111.417 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 126.48 32.04 0.74 Allowed Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.244 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.723 ' CG ' HD13 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -74.85 83.21 2.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.965 0.412 . . . . 0.0 110.111 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 1.037 HD11 ' HB2' ' A' ' 102' ' ' ALA . 25.3 mt -86.47 122.88 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.87 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.405 ' OD1' HD23 ' A' ' 99' ' ' LEU . 5.2 m-20 -84.76 129.43 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.049 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.606 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -79.77 1.88 25.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.94 -42.06 13.45 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -74.48 -36.18 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.979 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.463 ' CZ ' ' CG ' ' A' ' 124' ' ' MET . 16.6 t80 -66.88 -48.24 69.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.791 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -68.38 -33.7 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.006 0.431 . . . . 0.0 110.391 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -65.54 -53.29 44.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.413 ' HE3' ' CE1' ' B' 1919 ' ' TYR . 0.2 OUTLIER -68.58 -31.2 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.922 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 55.9 ttm -58.9 -46.02 88.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.1 m -92.33 -28.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.0 t -98.3 30.57 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.782 0.325 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 62.1 157.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 147.9 26.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.761 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -85.13 56.35 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.063 0.459 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.78 -46.22 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.627 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.33 -48.36 76.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t -55.73 -42.79 71.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.747 ' OG ' HG21 ' A' ' 91' ' ' VAL . 4.8 m -57.15 -34.25 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.803 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.77 -24.95 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.133 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.2 mt -64.15 -54.43 31.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.886 0.374 . . . . 0.0 110.358 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' 1912 ' ' ILE . 12.0 p -62.09 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.701 ' CG1' HD12 ' A' ' 85' ' ' LEU . 1.2 tt -62.22 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -37.58 86.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -34.88 79.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.126 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.89 97.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.482 ' CZ ' ' HE2' ' A' ' 124' ' ' MET . 9.3 m-85 -59.34 -36.76 76.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.315 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -62.25 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.218 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.07 -32.13 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.401 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.443 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.4 t80 -58.14 -60.32 3.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.308 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1920 ' ' LEU . . . . . 0.417 HD12 ' CD2' ' B' 1919 ' ' TYR . 8.9 mp -61.78 -28.88 69.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.731 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.06 -37.72 88.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.97 56.55 4.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.74 127.17 36.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1924 ' ' LYS . . . . . 0.403 ' CE ' ' N ' ' B' 1924 ' ' LYS . 0.0 OUTLIER -74.19 -30.56 62.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 29.4 t -103.1 84.79 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.21 97.18 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.813 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 10.1 pttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.88 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.5 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.815 0.34 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -148.86 77.59 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.46 -169.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -131.95 175.63 9.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.934 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -60.31 -19.95 57.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.682 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.83 -39.41 3.28 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.692 0.282 . . . . 0.0 111.32 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.78 -53.92 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.946 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -62.33 -51.54 67.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.647 ' OE2' ' HB2' ' B' 1915 ' ' ALA . 0.5 OUTLIER -65.89 -43.33 88.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.711 0.291 . . . . 0.0 111.66 -179.096 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.035 HD23 HG23 ' A' ' 142' ' ' VAL . 34.1 tp -59.57 -49.73 76.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.31 -36.54 69.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.79 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -73.18 -47.36 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.24 -44.49 95.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.74 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.663 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 110.199 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.81 61.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.668 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.6 t -62.22 -29.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.76 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -100.98 28.95 4.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.252 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.34 148.76 35.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -103.06 -79.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.021 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -176.91 37.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.786 ' O ' HD13 ' A' ' 99' ' ' LEU . . . -136.53 36.54 1.98 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.337 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 63.63 28.87 15.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 110.94 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . 120.01 46.2 0.39 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.771 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.786 HD13 ' O ' ' A' ' 96' ' ' GLY . 9.0 mp -113.21 144.02 43.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.967 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.79 HD11 HD13 ' A' ' 105' ' ' LEU . 13.1 tt -131.8 136.85 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.187 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 t -77.39 137.57 38.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.882 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.99 -51.27 26.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.621 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.41 74.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.908 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.889 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.0 mt-10 -74.82 -41.22 60.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.382 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.79 HD13 HD11 ' A' ' 100' ' ' ILE . 29.5 tp -57.8 -38.38 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.409 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.779 ' HA ' HG21 ' A' ' 121' ' ' VAL . 6.2 ttm180 -58.51 -51.16 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.322 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -64.41 -42.43 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.466 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.1 t -56.43 -63.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.962 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.66 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.29 -42.78 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 106' ' ' ARG . 75.0 p -64.97 -36.24 83.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.516 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -75.71 -16.51 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.673 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.3 pp -115.41 -176.56 2.94 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.306 0.574 . . . . 0.0 112.007 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.69 -134.99 35.43 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.222 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 42.96 1.08 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt 61.71 61.46 1.43 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.583 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.4 OUTLIER -45.74 131.64 9.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.136 -178.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.9 p -70.84 150.81 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.167 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.433 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.5 t0 -68.67 -29.9 68.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.92 -48.99 66.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.207 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.83 -42.5 93.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.95 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.779 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.6 p -75.52 -32.23 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.87 -34.67 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.66 -36.08 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.568 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.612 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.46 -33.46 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.395 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.2 pt -73.59 -41.08 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -27.93 64.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.256 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.74 -14.41 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -64.34 -51.43 63.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.53 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 0.0 110.626 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.4 mm 58.05 97.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.24 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -113.78 -34.62 5.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.08 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 138.05 156.3 7.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.7 30.27 19.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.96 75.37 0.27 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.568 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.493 ' HB3' HD23 ' A' ' 99' ' ' LEU . 8.8 m-70 -150.69 113.41 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.882 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.8 mt -138.09 110.48 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.405 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.46 131.18 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.311 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.497 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -86.49 10.37 15.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -39.11 13.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.036 0.446 . . . . 0.0 110.173 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -76.74 -42.19 42.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.435 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 54.8 t80 -62.18 -48.91 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.009 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 1.035 HG23 HD23 ' A' ' 85' ' ' LEU . 12.5 p -63.88 -35.98 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.65 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.09 -43.94 66.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.94 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.438 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.2 ptm -70.87 -31.9 68.72 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -27.22 49.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.553 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.1 m -98.47 -32.8 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.234 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.79 22.35 6.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.499 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 55.0 mttt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.333 179.824 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.02 137.35 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 19.9 mttt -59.54 95.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -85.97 50.83 2.05 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.402 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.28 -43.18 87.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' B' 1909 ' ' ALA . 18.2 mt-10 -61.82 -53.01 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.653 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -45.08 -57.4 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.592 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.3 m -57.05 -29.17 63.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.604 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.98 -28.15 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.987 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 41.2 mt -65.78 -52.05 54.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.323 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.65 -38.82 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.749 ' CG1' HD12 ' A' ' 85' ' ' LEU . 3.6 tt -62.9 -32.0 54.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 110.463 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.4 OUTLIER -63.52 -39.98 95.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -36.05 78.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.034 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1915 ' ' ALA . . . . . 0.647 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . . . -59.39 -42.13 91.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 22.0 m-85 -60.11 -35.78 75.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.169 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -42.1 86.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.911 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -34.55 70.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.83 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 15.1 t80 -59.69 -54.19 49.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.321 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -29.6 67.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.743 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 23.2 mt -74.96 72.56 2.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.001 0.429 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 7.2 tttt -120.9 -42.59 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -130.72 101.39 5.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.74 148.97 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -118.9 142.94 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 12.0 tptm -66.38 -43.97 84.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 8.1 mmtm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.955 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.738 0.304 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -122.49 29.01 7.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -55.45 179.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.088 0.471 . . . . 0.0 111.504 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.74 167.01 15.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.47 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -61.27 -14.8 29.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 p -114.43 -38.72 3.99 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.626 0.251 . . . . 0.0 111.367 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 86' ' ' ILE . 4.0 tt0 -56.78 -57.2 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.677 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.95 -40.57 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.642 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.74 -49.55 68.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.294 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.623 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.5 tm? -58.12 -51.93 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.518 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 82' ' ' GLU . 27.5 mt -56.15 -36.4 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 111.108 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -72.46 -44.81 61.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.703 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.649 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.8 -44.4 96.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -71.2 -35.71 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.082 0.468 . . . . 0.0 110.697 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -53.82 -35.99 62.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.598 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.742 HG21 ' OG ' ' B' 1908 ' ' SER . 23.7 t -66.54 -26.41 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.132 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -107.54 29.3 7.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -74.34 102.45 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -88.56 -51.86 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.019 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -30.63 70.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.065 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.69 -52.68 0.86 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -61.24 -35.94 78.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.712 ' C ' HD12 ' A' ' 99' ' ' LEU . . . 139.0 44.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.628 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.712 HD12 ' C ' ' A' ' 98' ' ' GLY . 7.0 mp -125.0 151.24 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.683 0.277 . . . . 0.0 110.647 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.503 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.7 tt -135.15 140.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.291 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.19 135.11 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.006 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.05 -51.59 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.7 mt-10 -75.21 -38.08 60.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.147 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.555 HD11 ' SD ' ' A' ' 109' ' ' MET . 25.3 tp -58.87 -31.26 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.825 ' HA ' HG21 ' A' ' 121' ' ' VAL . 31.0 ttt180 -67.16 -51.2 56.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -63.65 -40.2 96.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.435 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 104' ' ' GLU . 39.1 t -59.61 -63.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.703 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.555 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.04 -45.05 94.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.967 -178.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 106' ' ' ARG . 80.5 p -65.13 -38.02 89.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.209 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -73.75 -14.08 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.465 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.5 pp -118.88 -175.9 3.0 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.416 0.627 . . . . 0.0 112.184 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.465 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 64.87 -134.66 37.61 Favored Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.383 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.52 43.09 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.39 61.41 1.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.75 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -46.7 120.67 3.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.987 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.5 p -60.24 152.19 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.145 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HA ' HG12 ' A' ' 121' ' ' VAL . 7.5 p-10 -68.95 -30.75 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -67.42 -46.22 73.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.325 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.9 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.825 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.1 p -72.93 -32.5 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' A' ' 125' ' ' ILE . 0.7 OUTLIER -71.4 -29.58 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.57 -39.44 58.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.412 ' HE2' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -74.94 -34.49 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.8 pt -74.53 -29.36 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 111.39 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.854 ' HA ' HD11 ' A' ' 130' ' ' ILE . 27.2 ttt85 -71.02 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.15 -5.92 29.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.002 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.458 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -68.98 -52.77 25.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.757 -179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.0 t70 176.99 -69.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.854 HD11 ' HA ' ' A' ' 126' ' ' ARG . 30.4 mt 69.85 113.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.0 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.98 -174.15 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.737 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -57.58 -52.73 50.11 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.45 -27.06 41.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 0.0 111.008 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 125.17 6.55 6.27 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.313 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.593 ' HB3' HD23 ' A' ' 99' ' ' LEU . 49.0 m-70 -64.57 143.94 57.56 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 117.306 0.553 . . . . 0.0 110.679 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 1.006 HD11 ' HB2' ' A' ' 102' ' ' ALA . 31.0 mt -140.14 109.6 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 111.354 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.39 127.13 31.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.527 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.9 OUTLIER -80.25 2.21 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -88.4 -39.36 14.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -76.32 -38.83 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.7 -46.49 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.834 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 138' ' ' TYR . 12.3 p -68.84 -33.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -62.69 -53.91 47.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -31.73 68.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.408 ' HE1' ' HG ' ' A' ' 85' ' ' LEU . 14.3 ttp -57.9 -34.11 69.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 142' ' ' VAL . 32.6 m -107.11 -25.42 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.211 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.1 t -97.38 30.47 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.035 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.875 0.369 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.18 74.77 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.701 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 4.4 mttt -106.91 79.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -27.91 25.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.86 -48.76 78.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' B' 1907 ' ' VAL . 26.4 pt-20 -58.01 -45.04 87.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.053 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' B' 1906 ' ' GLU . 21.4 t -51.29 -52.71 18.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.957 0.408 . . . . 0.0 111.371 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.742 ' OG ' HG21 ' A' ' 91' ' ' VAL . 1.5 m -55.7 -31.57 62.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.417 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -73.7 -27.32 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.46 -51.36 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.6 p -62.26 -38.27 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.649 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -62.19 -34.61 64.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.054 0.454 . . . . 0.0 110.042 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.431 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -63.06 -40.01 96.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 178.685 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.74 -32.76 73.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.157 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.78 96.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.217 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 18.7 m-85 -57.75 -38.84 76.09 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -60.81 -33.85 73.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.104 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -80.79 -31.42 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.37 -54.57 41.99 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.521 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.4 mt -78.03 -44.14 27.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.643 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 12.2 mt -85.3 78.77 9.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.769 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.62 -46.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.115 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -56.55 -171.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.226 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 11.7 mttp -56.24 146.26 24.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.3 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.3 t -64.3 -41.49 92.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 171.22 12.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 9.6 mtmt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.797 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.38 -46.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 62.25 116.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 177.49 -35.87 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.973 0.416 . . . . 0.0 111.328 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -52.92 -25.02 10.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.768 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 m -83.58 -57.9 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 111.37 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.509 ' O ' HD12 ' A' ' 86' ' ' ILE . 7.4 pt-20 -59.95 -49.85 76.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.549 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.54 -54.14 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.27 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -64.11 -45.19 89.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -58.94 -50.33 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.142 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 82' ' ' GLU . 18.6 mt -59.02 -39.93 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.0 -44.63 68.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.02 0.438 . . . . 0.0 110.722 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.59 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.54 -48.19 82.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.5 -35.67 81.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.421 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.0 -39.54 63.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.795 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 ' OG ' ' B' 1908 ' ' SER . 21.9 t -62.5 -27.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.033 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -104.99 28.94 6.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.244 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -71.07 96.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.608 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -83.06 -54.49 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.411 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -61.11 -29.97 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.054 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.45 -46.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -66.86 -31.83 72.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.804 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 135.32 44.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.453 HD23 ' CA ' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -125.96 162.86 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.581 0.229 . . . . 0.0 110.741 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.501 ' CD1' HD13 ' A' ' 105' ' ' LEU . 17.9 tt -147.64 136.15 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.1 136.99 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.798 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.26 -37.35 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.23 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.68 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.405 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.876 ' O ' HG23 ' A' ' 108' ' ' VAL . 28.9 mt-10 -75.88 -37.12 59.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.555 HD11 ' SD ' ' A' ' 109' ' ' MET . 29.5 tp -59.01 -34.55 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.046 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.758 ' HA ' HG21 ' A' ' 121' ' ' VAL . 11.1 ttp180 -63.84 -51.54 64.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -63.16 -43.21 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 104' ' ' GLU . 41.8 t -56.58 -62.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.591 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.555 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.22 -45.4 93.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.039 -179.06 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 106' ' ' ARG . 79.8 p -64.36 -36.26 83.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 111.52 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -74.33 -17.36 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.481 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.457 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -114.68 -176.17 2.84 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.288 0.566 . . . . 0.0 111.944 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.18 -136.8 37.57 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.43 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -97.72 44.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm 61.6 62.06 1.37 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.624 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -47.23 125.59 8.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.836 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 p -70.72 153.27 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.532 ' HA ' HG12 ' A' ' 121' ' ' VAL . 4.9 p-10 -69.15 -28.55 66.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -42.14 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.1 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.4 p -74.71 -31.99 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.01 -34.63 75.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.0 -39.59 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.481 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -73.53 -33.68 64.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.622 0.249 . . . . 0.0 111.618 -179.321 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 121' ' ' VAL . 22.7 pt -74.5 -28.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.728 0.299 . . . . 0.0 111.531 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -73.18 -30.41 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -90.31 -26.69 19.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.8 72.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.453 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.76 -69.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.509 HG22 ' H ' ' A' ' 132' ' ' GLY . 28.5 mm -111.93 136.81 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -101.52 31.9 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.509 ' H ' HG22 ' A' ' 130' ' ' ILE . . . 173.45 -132.32 2.29 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.458 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -60.72 101.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.405 ' HA3' HG21 ' A' ' 130' ' ' ILE . . . 162.14 166.18 20.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.565 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.401 ' CE1' ' OD1' ' A' ' 95' ' ' ASP . 33.0 m170 -87.81 135.21 33.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 102' ' ' ALA . 16.5 mt -117.86 106.22 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.453 ' CA ' HD23 ' A' ' 99' ' ' LEU . 3.0 t-20 -70.76 124.75 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -77.45 -1.6 31.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.125 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.11 -38.88 16.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.718 0.294 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.9 -40.72 46.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.06 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.816 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 138' ' ' TYR . 13.9 p -68.86 -33.45 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -54.14 49.73 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.455 ' HE3' ' C ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -71.6 -31.57 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.102 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ttm -57.36 -31.71 66.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.5 m -111.21 -29.05 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.326 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.2 t -97.75 30.73 2.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 26.5 mtpt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.957 0.408 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.7 32.47 18.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 16.7 pttm -90.92 -31.12 16.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -79.97 -15.13 57.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.721 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -54.08 -48.1 71.0 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.38 -31.03 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.714 ' O ' HG22 ' B' 1910 ' ' ILE . 23.5 t -65.01 -59.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.554 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 2.3 m -57.37 -27.95 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.961 0.41 . . . . 0.0 110.966 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -79.24 -22.96 44.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.623 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.714 HG22 ' O ' ' B' 1907 ' ' VAL . 0.2 OUTLIER -75.21 -36.33 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.404 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.423 HG12 ' O ' ' B' 1908 ' ' SER . 13.5 p -72.27 -37.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.921 0.391 . . . . 0.0 110.107 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.59 HD12 ' CB ' ' A' ' 88' ' ' ALA . 1.0 OUTLIER -62.93 -34.29 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.836 179.257 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.468 ' HG3' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -64.09 -41.6 97.24 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.448 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -60.66 -33.21 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.955 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.47 97.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.7 m-85 -61.26 -35.73 78.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.253 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.55 -43.83 93.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.224 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -32.83 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.115 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -60.12 -54.46 45.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.44 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -32.26 73.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 23.5 mt -77.54 107.78 10.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.98 118.53 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -60.73 157.77 14.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.77 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.76 66.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.744 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.1 p -78.43 146.09 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 24.7 mttt 60.71 157.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.2 mtp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.797 0.332 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.84 123.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -102.91 -172.07 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -139.42 19.13 2.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.674 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.62 -31.98 63.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.837 0.351 . . . . 0.0 110.782 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 m -99.08 -22.56 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.352 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.05 -57.12 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 111.339 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.58 -43.34 80.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.576 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.22 -49.88 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.6 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -57.19 -50.52 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.62 -39.16 68.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.711 0.291 . . . . 0.0 111.139 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -45.71 61.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.494 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.39 -49.16 78.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.879 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.697 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.2 OUTLIER -66.12 -35.94 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -41.08 51.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.889 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG12 ' OE2' ' B' 1905 ' ' GLU . 21.7 t -64.37 -26.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.89 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' B' 1909 ' ' ALA . 66.1 m-85 -111.34 28.11 9.04 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.68 103.18 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.84 26.21 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.057 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.542 ' HB3' HD12 ' A' ' 99' ' ' LEU . 4.9 m-20 -76.39 -30.36 57.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.726 0.298 . . . . 0.0 110.856 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.58 -71.19 0.38 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.379 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.46 -30.23 25.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.749 0.309 . . . . 0.0 110.782 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 139.53 52.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' A' ' 95' ' ' ASP . 2.0 mt -109.3 150.82 27.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' A' ' 105' ' ' LEU . 14.2 tt -130.2 142.05 44.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.203 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.4 m -83.92 128.02 34.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -68.36 -31.69 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.431 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.58 56.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.214 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.89 ' O ' HG23 ' A' ' 108' ' ' VAL . 2.2 mt-10 -78.48 -35.2 46.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD11 ' SD ' ' A' ' 109' ' ' MET . 24.6 tp -56.09 -35.57 67.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.491 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.786 ' HA ' HG21 ' A' ' 121' ' ' VAL . 10.4 ttt180 -63.93 -51.4 64.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.421 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -64.12 -41.12 97.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.7 t -58.7 -62.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.75 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.486 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.51 -48.1 83.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.066 -178.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 62.1 p -61.63 -37.56 84.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 0.0 111.386 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -73.03 -17.52 61.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.468 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.2 pp -115.28 -176.53 2.93 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.463 0.649 . . . . 0.0 112.325 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.5 -134.81 38.77 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.542 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -98.2 43.19 1.07 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 61.44 62.44 1.34 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -46.5 116.58 1.33 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.857 -179.15 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.6 p -55.73 150.0 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.619 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' HA ' HG12 ' A' ' 121' ' ' VAL . 2.4 p30 -69.51 -30.54 68.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.054 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -49.15 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -48.88 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.786 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.4 p -64.21 -31.53 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.418 ' HA ' HD11 ' A' ' 125' ' ' ILE . 22.4 t70 -68.25 -32.18 72.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.552 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -52.37 9.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.606 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -58.34 -35.65 72.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.151 -179.18 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 121' ' ' VAL . 17.3 pt -74.15 -42.43 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 111.739 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -28.46 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.311 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -25.22 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.451 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.17 -50.78 71.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.656 0.265 . . . . 0.0 111.64 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.657 ' HB2' HG23 ' A' ' 136' ' ' ILE . 1.1 m-20 179.06 -75.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.644 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 131' ' ' ASP . 29.0 mm -114.99 154.54 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.179 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.405 ' N ' HG22 ' A' ' 130' ' ' ILE . 14.6 p-10 -138.18 142.64 40.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.01 76.35 0.9 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.88 83.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -176.53 149.67 9.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.523 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.44 ' HB3' HD13 ' A' ' 99' ' ' LEU . 42.3 m170 -66.3 136.9 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.3 mt -135.27 106.85 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.413 ' CA ' HD23 ' A' ' 99' ' ' LEU . 6.1 t-20 -68.75 132.31 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.555 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.425 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.6 p90 -85.43 9.11 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.57 -40.76 12.41 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 120.962 0.411 . . . . 0.0 110.336 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.81 -39.34 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.536 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 46.2 t80 -65.72 -46.24 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.771 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 146' ' ' VAL . 8.7 p -65.57 -31.27 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.403 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -53.64 46.28 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.422 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 5.9 ptm -69.26 -32.01 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.424 ' HG2' ' CG ' ' B' 1919 ' ' TYR . 1.9 mtm -59.55 -41.96 91.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 142' ' ' VAL . 12.0 p -94.91 -26.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.261 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.6 t -91.31 18.07 7.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.452 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.035 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.927 0.394 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -145.78 155.83 43.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.79 26.5 5.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -85.54 56.03 3.78 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.011 0.434 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1905 ' ' GLU . . . . . 0.425 ' OE2' HG12 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -61.84 -54.83 36.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.25 -49.76 73.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.456 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.8 t -46.01 -55.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.552 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -57.21 -31.08 65.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.463 179.293 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.526 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.18 -24.63 60.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.084 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.33 -51.55 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -59.5 -37.06 68.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.697 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.4 tt -62.26 -33.93 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.012 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -62.53 -40.88 98.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.778 178.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -60.03 -34.31 73.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.048 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1915 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -58.53 -34.4 70.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -41.78 93.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.886 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.67 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.128 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.424 ' CG ' ' HG2' ' A' ' 145' ' ' MET . 8.5 t80 -58.24 -62.64 1.68 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.261 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.05 -28.71 68.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.92 87.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.654 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -87.65 172.26 9.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.1 mm100 62.81 124.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 11.9 mttm -142.14 35.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.4 p -119.96 148.38 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -177.49 1.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.805 0.336 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -146.56 -63.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.24 176.58 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -115.8 33.91 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.681 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.76 -20.93 53.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.629 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -98.69 -63.63 1.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.675 0.274 . . . . 0.0 111.527 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 86' ' ' ILE . 8.9 mt-10 -53.66 -57.55 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -59.53 -44.55 93.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.94 -50.26 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.918 0.39 . . . . 0.0 111.477 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.108 HD23 HG23 ' A' ' 142' ' ' VAL . 29.3 tp -58.05 -49.44 76.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 82' ' ' GLU . 28.4 mt -60.41 -39.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.706 0.288 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -51.29 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.36 -46.17 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.073 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.82 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.1 OUTLIER -63.46 -36.21 83.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.151 0.501 . . . . 0.0 110.361 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -54.46 -39.14 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.604 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.629 HG21 ' OG ' ' B' 1908 ' ' SER . 22.0 t -60.75 -26.2 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.984 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -101.54 28.82 5.24 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -60.69 121.65 12.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.781 0.324 . . . . 0.0 110.492 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -77.16 -56.85 4.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.517 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -178.84 -22.84 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.834 ' HA3' HD12 ' A' ' 99' ' ' LEU . . . -85.55 47.06 3.75 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.719 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.81 24.87 2.67 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.892 0.331 . . . . 0.0 111.892 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 134.93 40.62 0.16 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.093 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.834 HD12 ' HA3' ' A' ' 96' ' ' GLY . 36.3 mt -115.38 143.82 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.632 HD11 HD13 ' A' ' 105' ' ' LEU . 18.2 tt -136.06 141.46 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 111.338 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -84.39 140.24 31.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.24 -42.02 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.92 79.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.5 mt-10 -73.97 -41.38 62.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.635 HD11 ' SD ' ' A' ' 109' ' ' MET . 27.3 tp -58.19 -34.69 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.811 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.82 -51.49 66.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.626 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -63.95 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.554 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 104' ' ' GLU . 25.3 t -61.51 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.959 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.635 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.1 -47.96 83.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.219 -178.603 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 72.1 p -60.38 -40.11 89.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.5 -16.89 62.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.617 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.485 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -115.68 -177.91 3.26 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.579 0.704 . . . . 0.0 112.42 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.0 -131.59 33.61 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.391 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 40.33 1.24 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt 61.73 63.24 1.17 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.555 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.6 OUTLIER -44.85 122.39 3.21 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.958 -178.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -55.36 145.26 22.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.716 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.29 -29.67 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.172 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.48 -47.91 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.317 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.88 -42.88 94.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.215 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.811 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.5 p -65.28 -32.84 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.171 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.414 ' HA ' HD11 ' A' ' 125' ' ' ILE . 73.2 m-20 -65.12 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.278 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -50.91 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.497 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.447 ' HE2' HG23 ' A' ' 121' ' ' VAL . 3.9 ptt? -60.39 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.652 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 121' ' ' VAL . 17.0 pt -62.01 -27.63 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.702 0.286 . . . . 0.0 111.565 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -74.92 -39.99 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.448 ' HG2' ' HE1' ' A' ' 144' ' ' MET . 4.0 tp10 -89.49 -4.91 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.04 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.44 ' CB ' HG21 ' A' ' 136' ' ' ILE . . . -70.89 -50.69 32.3 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.739 0.304 . . . . 0.0 111.436 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.59 -72.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 131' ' ' ASP . 25.5 mt -123.8 156.33 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.439 ' N ' HG22 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -138.72 115.57 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.714 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.84 45.33 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 t70 59.99 30.9 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.43 -135.86 8.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.738 ' ND1' HD13 ' A' ' 99' ' ' LEU . 11.4 m170 -117.21 135.6 53.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.754 HD11 ' HB2' ' A' ' 102' ' ' ALA . 17.1 mt -137.56 100.4 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.348 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.615 ' N ' HD23 ' A' ' 99' ' ' LEU . 10.6 t30 -65.42 130.73 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.499 ' O ' HG12 ' A' ' 142' ' ' VAL . 5.6 p90 -84.79 9.31 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.11 -38.99 13.93 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.966 0.413 . . . . 0.0 110.228 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -77.04 -38.33 53.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 29.7 t80 -66.7 -44.99 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.109 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 1.108 HG23 HD23 ' A' ' 85' ' ' LEU . 13.6 p -68.14 -36.77 76.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -50.46 71.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.761 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.448 ' HE1' ' HG2' ' A' ' 127' ' ' GLU . 3.4 ppp? -69.43 -31.49 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.453 ' SD ' HD22 ' A' ' 85' ' ' LEU . 56.0 ttm -57.87 -37.73 74.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.7 m -102.24 -25.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.17 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -96.93 34.76 1.66 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.77 0.319 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 16.3 mtp-105 -80.48 -36.06 33.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 38.7 mttt -71.9 -31.8 66.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1904 ' ' GLN . . . . . 0.602 ' OE1' HG21 ' B' 1907 ' ' VAL . 0.4 OUTLIER -85.47 8.96 17.15 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.005 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -40.58 89.33 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.821 0.343 . . . . 0.0 110.826 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' B' 1909 ' ' ALA . 1.4 mp0 -64.28 -55.66 19.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.602 HG21 ' OE1' ' B' 1904 ' ' GLN . 22.1 t -46.19 -54.15 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 111.558 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.636 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.2 m -57.1 -30.64 64.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -75.51 -20.26 58.84 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.129 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.95 -51.98 27.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.44 HG13 ' N ' ' B' 1912 ' ' ILE . 8.6 p -61.41 -44.73 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.785 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.82 HD11 ' CD2' ' A' ' 89' ' ' PHE . 5.0 tt -59.49 -30.83 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.478 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.7 tt0 -63.62 -40.92 98.12 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -61.21 -34.21 74.73 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.033 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.44 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.37 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 22.7 m-85 -61.63 -38.16 86.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.143 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -39.57 80.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.99 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -35.36 62.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.814 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.433 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 14.3 t80 -59.19 -61.95 2.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.358 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.36 -20.88 66.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.194 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.71 92.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.753 0.311 . . . . 0.0 111.421 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -115.13 -177.45 3.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.27 -37.95 43.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.27 164.35 23.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1925 ' ' VAL . . . . . 0.4 HG12 ' N ' ' B' 1926 ' ' LYS . 21.3 t -142.67 154.17 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1926 ' ' LYS . . . . . 0.4 ' N ' HG12 ' B' 1925 ' ' VAL . 0.0 OUTLIER -92.24 118.05 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.7 mppt? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.864 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -133.81 35.88 3.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.43 -175.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -113.36 164.25 13.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.005 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -62.49 -16.0 53.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.81 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.82 -32.12 8.09 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.528 0.204 . . . . 0.0 111.404 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.2 mt-10 -67.29 -57.88 5.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.788 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.83 -30.61 67.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.877 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -75.51 -39.84 57.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.781 HD11 ' CE2' ' A' ' 89' ' ' PHE . 41.5 tp -72.13 -47.61 49.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.314 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 82' ' ' GLU . 26.1 mt -59.19 -40.82 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.155 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -47.46 66.23 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.029 0.442 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -59.59 -42.41 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.781 ' CE2' HD11 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -69.55 -35.83 75.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.481 . . . . 0.0 110.031 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -50.33 -38.73 43.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.593 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.92 -30.29 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.667 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -111.15 28.83 8.35 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.71 94.65 3.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 0.0 111.287 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.81 31.2 1.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.22 23.99 8.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.249 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.884 ' HA3' HD12 ' A' ' 99' ' ' LEU . . . 161.6 40.29 0.02 OUTLIER Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.116 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 52.99 43.14 32.11 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.837 0.351 . . . . 0.0 111.735 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.436 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 117.33 26.83 2.81 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.668 -0.777 . . . . 0.0 113.007 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.884 HD12 ' HA3' ' A' ' 96' ' ' GLY . 20.1 mt -107.15 132.75 52.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.74 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 136' ' ' ILE . 3.9 tt -123.2 136.6 59.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.175 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.42 141.7 29.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.84 -38.19 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.487 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.44 -53.15 60.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.3 pt-20 -74.44 -42.85 58.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 125' ' ' ILE . 29.3 tp -53.0 -39.91 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.692 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.835 ' HA ' HG21 ' A' ' 121' ' ' VAL . 5.1 ttt-85 -61.6 -51.54 68.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.456 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 8.5 t60 -63.48 -48.13 78.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.489 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.3 t -52.36 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB3' HD12 ' A' ' 116' ' ' LEU . 20.6 mmt -60.0 -48.28 82.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 68.9 p -62.27 -38.89 91.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.594 0.235 . . . . 0.0 111.559 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 2.5 m-80 -75.5 -14.22 60.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.5 pp -115.07 -177.03 3.03 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.319 0.581 . . . . 0.0 112.055 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.466 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 63.91 -132.62 40.24 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.203 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -99.5 40.97 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 61.87 63.73 1.09 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.521 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 109' ' ' MET . 0.6 OUTLIER -45.81 122.73 3.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.123 0.487 . . . . 0.0 111.911 -178.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -55.49 147.15 18.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.741 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.42 -30.19 68.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.66 -47.46 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.299 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.89 -42.68 94.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.122 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.835 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.1 p -66.99 -32.45 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.424 ' HA ' HD11 ' A' ' 125' ' ' ILE . 16.5 t0 -66.07 -31.28 72.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.333 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.19 -48.06 31.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.363 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 4.1 ptt? -61.68 -44.79 96.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.795 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.57 ' O ' HD11 ' A' ' 130' ' ' ILE . 17.2 pt -66.79 -40.25 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.22 64.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.351 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -95.17 -4.71 45.53 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.487 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -78.22 -51.23 10.51 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.64 0.257 . . . . 0.0 111.551 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.01 -66.65 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.733 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.57 HD11 ' O ' ' A' ' 125' ' ' ILE . 29.8 mm 67.42 73.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.935 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.45 138.58 36.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.39 -103.41 0.41 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.555 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -132.0 -46.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.362 . . . . 0.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -137.78 64.15 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.617 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -149.86 116.2 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 102' ' ' ALA . 18.6 mt -141.25 106.18 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.573 ' N ' HD23 ' A' ' 99' ' ' LEU . 1.8 m-20 -69.57 120.21 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.299 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.702 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -71.12 -7.87 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.58 -43.41 80.66 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.904 0.383 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.95 -36.17 59.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 49.3 t80 -66.59 -49.48 66.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.002 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.752 HG23 HD23 ' A' ' 85' ' ' LEU . 10.7 p -68.39 -36.21 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -64.88 -53.49 45.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.6 ' HE3' ' HA ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -68.8 -31.81 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.23 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.6 ' HA ' ' HE3' ' A' ' 144' ' ' MET . 34.0 ttm -61.26 -45.87 92.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.2 m -91.44 -29.14 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.86 30.19 3.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.7 mttp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.989 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.854 0.359 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -92.21 -36.19 13.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 2.6 tttm 60.3 107.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -86.85 42.62 1.03 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.882 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -71.07 -59.66 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.717 0.294 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.4 -52.72 58.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.647 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.444 HG23 ' N ' ' B' 1908 ' ' SER . 15.4 m -50.01 -48.03 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.788 0.328 . . . . 0.0 111.536 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.608 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 24.1 p -57.84 -32.55 67.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.155 0.502 . . . . 0.0 110.019 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.551 ' O ' HG22 ' B' 1912 ' ' ILE . . . -75.8 -27.33 57.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.934 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.8 mt -61.04 -51.34 74.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 110.204 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -64.03 -39.19 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.694 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.2 tt -61.05 -32.84 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.341 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.445 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -65.11 -40.83 95.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.496 178.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.8 72.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.024 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.61 93.93 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.341 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 16.6 m-85 -58.38 -34.27 70.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.482 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1917 ' ' ARG . . . . . 0.808 ' O ' HD23 ' B' 1921 ' ' LEU . 0.0 OUTLIER -61.36 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.223 179.366 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -73.1 -31.37 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.351 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 9.9 t80 -56.96 -61.8 2.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.85 -27.69 68.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1921 ' ' LEU . . . . . 0.808 HD23 ' O ' ' B' 1917 ' ' ARG . 3.5 mm? -72.13 78.56 0.95 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.744 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 132.14 49.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.815 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 62.17 85.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.779 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 12.6 mttp -58.38 117.71 4.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1925 ' ' VAL . . . . . 0.573 HG13 ' O ' ' B' 1925 ' ' VAL . 12.2 p 32.33 78.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 8.9 tttt -57.5 151.01 17.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.863 0.364 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.83 33.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -63.05 -178.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -113.01 165.92 11.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.34 -22.41 30.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.714 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -91.57 -58.71 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 111.264 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.622 ' HG3' HD11 ' A' ' 86' ' ' ILE . 4.4 tt0 -58.74 -57.23 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.642 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.95 -44.51 74.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.6 -44.2 57.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.756 0.312 . . . . 0.0 111.32 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.075 HD23 HG23 ' A' ' 142' ' ' VAL . 15.5 tp -61.29 -46.19 91.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.009 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.622 HD11 ' HG3' ' A' ' 82' ' ' GLU . 38.4 mt -61.98 -40.26 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.28 -41.12 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.786 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.36 -49.54 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.955 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.744 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -65.22 -35.8 82.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.503 179.734 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -38.21 56.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.597 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.52 -26.25 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.921 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -106.08 27.95 8.12 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.393 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -81.93 114.11 20.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.807 0.337 . . . . 0.0 110.707 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -117.48 -14.58 10.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.018 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.42 ' N ' ' HD3' ' A' ' 94' ' ' ARG . 1.8 t70 -83.43 -24.97 31.66 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.746 0.308 . . . . 0.0 110.954 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.51 -48.93 0.95 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -78.02 -35.82 49.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' HA3' ' CZ ' ' A' ' 138' ' ' TYR . . . 136.79 45.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.612 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.769 HD23 ' HB3' ' A' ' 135' ' ' HIS . 10.4 mp -115.42 152.24 33.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.529 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.8 tt -140.2 125.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.942 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 139.14 55.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.193 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.844 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.33 -36.7 71.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.4 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.28 -53.26 58.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.8 pt-20 -76.47 -38.78 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.572 HD11 ' SD ' ' A' ' 109' ' ' MET . 25.7 tp -55.24 -38.46 68.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.324 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.797 ' HA ' HG21 ' A' ' 121' ' ' VAL . 12.6 ttt-85 -60.65 -51.65 68.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.186 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -63.7 -45.11 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.57 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.3 t -55.28 -63.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.572 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.13 -43.96 95.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.687 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 106' ' ' ARG . 77.2 p -63.95 -53.97 41.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.608 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -60.57 -17.93 49.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.689 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 113' ' ' GLY . 3.9 pp -110.73 -175.6 2.76 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.604 0.716 . . . . 0.0 112.351 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.658 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 62.24 -136.81 45.41 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.582 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -96.81 43.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? 61.45 62.74 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.69 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.576 HD21 ' OE2' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -46.8 128.59 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.827 -179.012 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -63.61 146.57 53.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.586 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.36 -29.18 66.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -70.88 -47.66 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.576 ' OE2' HD21 ' A' ' 116' ' ' LEU . 16.3 tt0 -59.83 -41.03 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.797 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.7 p -70.54 -32.63 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.107 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.43 ' HA ' HD11 ' A' ' 125' ' ' ILE . 1.2 m-20 -67.82 -28.8 67.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.35 -47.46 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 111.419 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.537 ' CE ' HG23 ' A' ' 121' ' ' VAL . 4.1 ptt? -61.14 -45.26 95.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.709 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 122' ' ' ASP . 15.7 pt -66.53 -39.84 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.978 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.361 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -92.4 -4.88 53.09 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -78.67 -52.7 8.04 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.704 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.81 -66.85 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.026 0.441 . . . . 0.0 110.547 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.427 HD11 ' O ' ' A' ' 125' ' ' ILE . 23.4 mt 58.95 88.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.005 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.73 95.09 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 119.75 21.34 3.59 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.224 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 57.37 36.65 27.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.821 0.311 . . . . 0.0 111.355 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 147.69 53.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.697 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.769 ' HB3' HD23 ' A' ' 99' ' ' LEU . 53.4 m-70 -160.01 107.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 110.384 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.844 HD11 ' HB2' ' A' ' 102' ' ' ALA . 25.5 mt -131.75 113.8 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.732 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -73.71 128.68 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.58 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.8 p90 -80.53 1.96 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -87.21 -44.62 11.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.923 0.392 . . . . 0.0 110.491 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.29 -35.59 58.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.612 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 60.5 t80 -64.15 -49.29 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.814 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 1.075 HG23 HD23 ' A' ' 85' ' ' LEU . 14.7 p -68.28 -32.91 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 0.0 110.388 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -67.32 -53.28 31.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.98 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.35 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.458 ' CE ' ' CE2' ' A' ' 141' ' ' PHE . 15.5 ttm -63.15 -34.13 76.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 142' ' ' VAL . 13.2 p -103.22 -24.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.652 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.6 t -93.28 22.32 5.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.224 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 6.8 mmtp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -178.85 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.99 124.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -58.81 -23.01 59.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.367 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -59.09 -61.08 2.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.609 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -53.74 -58.95 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.91 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.433 HG23 ' N ' ' B' 1908 ' ' SER . 10.9 m -44.61 -50.04 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.46 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 56.8 p -59.51 -34.78 73.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.204 0.525 . . . . 0.0 109.789 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.597 ' O ' HG22 ' B' 1912 ' ' ILE . . . -72.24 -26.7 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.803 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.4 mt -62.85 -51.88 66.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.456 HG12 ' O ' ' B' 1908 ' ' SER . 11.5 p -62.18 -36.01 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.636 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.744 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.0 tt -65.16 -33.39 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.0 OUTLIER -62.92 -36.3 82.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.487 178.664 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.33 80.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.801 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.79 94.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.723 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.7 m-85 -59.82 -37.86 80.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -59.39 -45.68 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.572 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -31.63 67.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.456 ' CG ' ' HG3' ' A' ' 145' ' ' MET . 15.1 t80 -58.5 -51.64 69.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.535 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 6.2 mt -82.21 -38.12 25.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.929 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.1 76.27 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 22.6 mttp -148.78 76.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.687 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -81.12 150.83 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -165.8 -44.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.687 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t -148.72 94.57 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.014 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 10.0 tttm -59.83 -34.89 73.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.854 0.359 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -120.82 -76.96 0.58 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -179.54 177.28 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.757 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -138.94 24.41 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.233 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.46 -27.45 62.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.298 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -99.48 -51.36 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.034 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.3 mt-10 -54.86 -53.6 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.889 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.71 -46.43 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.842 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.5 -50.42 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.708 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.577 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -54.57 -51.22 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.52 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 82' ' ' GLU . 53.6 mt -56.96 -40.73 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.55 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.24 -47.84 84.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -64.87 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.71 -40.3 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.698 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.555 HG21 ' OG ' ' B' 1908 ' ' SER . 22.2 t -63.25 -27.7 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.015 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -103.07 29.23 5.63 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -62.26 156.56 21.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -134.06 -66.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.36 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.72 -49.77 0.82 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.385 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.29 -43.81 95.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.773 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 147.76 62.79 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.678 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.39 162.87 32.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.695 0.283 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.402 ' CD1' HD13 ' A' ' 105' ' ' LEU . 13.2 tt -144.92 146.94 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 t -88.28 134.88 33.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.879 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.28 -30.32 66.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.514 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.63 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.356 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.868 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.0 pt-20 -78.77 -40.03 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 100' ' ' ILE . 34.3 tp -53.32 -40.29 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.537 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.785 ' HA ' HG21 ' A' ' 121' ' ' VAL . 1.1 ttt180 -62.17 -51.46 67.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.121 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -64.26 -44.82 90.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 104' ' ' GLU . 46.6 t -56.73 -60.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 0.0 111.767 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.415 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 4.3 mmt -60.91 -48.26 82.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.297 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 106' ' ' ARG . 67.8 p -65.03 -45.26 86.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 111.654 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.03 -18.31 65.19 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.779 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.0 OUTLIER -117.74 178.42 4.41 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 121.626 0.727 . . . . 0.0 112.593 -179.35 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.681 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 72.16 -130.25 16.08 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -100.39 38.65 1.46 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 62.14 62.83 1.15 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.409 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD21 ' OE1' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -46.19 121.86 3.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.937 -179.049 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -54.06 144.25 19.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.798 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.1 -47.79 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.201 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.43 ' OE1' HD21 ' A' ' 116' ' ' LEU . 8.2 tt0 -59.73 -39.92 86.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.004 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.785 HG21 ' HA ' ' A' ' 106' ' ' ARG . 9.2 p -71.61 -32.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.441 ' HA ' HD11 ' A' ' 125' ' ' ILE . 15.3 m-20 -65.73 -33.64 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.327 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.69 -51.98 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.465 ' CE ' HG23 ' A' ' 121' ' ' VAL . 4.0 ptt? -55.08 -39.11 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.688 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.0 pt -74.02 -32.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.899 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.35 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -28.39 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 141' ' ' PHE . . . -58.7 -51.56 69.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.551 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 130' ' ' ILE . 1.1 t70 177.25 -59.68 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.458 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 129' ' ' ASP . 3.1 tt 45.05 42.05 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.179 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -74.33 -162.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.539 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -54.39 152.41 11.71 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.883 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.21 22.92 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.608 0.242 . . . . 0.0 111.411 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 54.5 21.64 21.42 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.358 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -72.4 138.17 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.882 0.341 . . . . 0.0 110.629 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.879 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.8 mt -139.99 102.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.7 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.03 126.6 30.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.578 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -80.33 2.55 24.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 -39.35 15.42 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.925 0.393 . . . . 0.0 110.339 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.58 -41.19 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.268 0.556 . . . . 0.0 109.54 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.458 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . 32.8 t80 -61.09 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.124 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 138' ' ' TYR . 14.4 p -68.25 -34.23 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -62.11 -54.91 34.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.369 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 2.2 ptm -66.67 -31.96 72.97 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.214 0.321 . . . . 0.0 111.1 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.9 ttm -58.2 -31.91 67.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.953 0.406 . . . . 0.0 110.727 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.6 m -111.47 -14.15 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.843 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.0 m -97.09 31.45 2.42 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.757 0.313 . . . . 0.0 111.269 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.1 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.833 179.817 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 25.3 tttp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.658 0.266 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -127.89 133.7 49.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.957 0.408 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -76.75 160.35 29.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.11 -30.85 23.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.58 -52.75 28.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.384 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.6 -50.67 69.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.6 m -53.92 -41.39 48.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.798 0.333 . . . . 0.0 111.433 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.555 ' OG ' HG21 ' A' ' 91' ' ' VAL . 16.0 m -57.95 -35.31 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.017 0.437 . . . . 0.0 110.308 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.779 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.26 -24.05 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.916 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.92 -56.91 14.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.245 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.467 HG13 ' N ' ' B' 1912 ' ' ILE . 11.8 p -60.7 -45.0 98.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.638 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.594 HD11 ' CG ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -57.39 -32.05 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.235 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.425 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.6 tt0 -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.734 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -61.76 -33.41 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.313 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.68 99.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.57 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.1 m-85 -59.84 -39.32 84.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.493 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -57.59 -43.8 84.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -72.17 -32.78 67.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.263 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 12.7 t80 -60.4 -56.64 18.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.279 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -30.15 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 11.3 mt -70.94 161.0 31.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 9.3 pttt -177.86 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -62.94 -31.92 73.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 4.6 mttt -117.26 97.1 5.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -133.43 -46.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 1.6 mttt 60.38 31.14 20.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 6.9 tttm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.869 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.847 0.356 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -150.64 74.56 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -106.31 -176.55 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -129.19 31.5 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -70.57 -44.78 66.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m -59.79 -47.25 86.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.569 ' OE1' HG21 ' A' ' 146' ' ' VAL . 4.2 tt0 -59.61 -57.24 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.09 -43.89 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.391 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.8 -49.91 59.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.281 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -56.09 -50.68 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 82' ' ' GLU . 17.4 mt -58.02 -34.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.5 tt0 -73.19 -45.8 54.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.443 . . . . 0.0 110.594 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.088 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.663 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.7 OUTLIER -68.44 -35.88 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 0.0 110.65 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.65 -36.94 57.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.568 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.765 HG21 ' OG ' ' B' 1908 ' ' SER . 24.0 t -66.35 -27.79 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.029 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -103.05 29.01 5.76 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -77.86 115.24 17.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.772 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -109.99 -44.34 3.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.173 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.425 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -59.83 -29.41 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.13 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.49 -55.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.42 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -66.25 -50.1 64.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.45 43.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.659 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.425 HD12 ' OD2' ' A' ' 95' ' ' ASP . 6.1 mt -119.6 148.09 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.469 HD11 HD13 ' A' ' 105' ' ' LEU . 16.7 tt -132.25 132.92 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -74.1 133.16 42.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.957 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.14 -34.6 71.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.351 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.93 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.429 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.9 pt-20 -77.96 -38.73 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.504 HD11 ' SD ' ' A' ' 109' ' ' MET . 23.4 tp -55.1 -39.37 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.778 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -61.03 -51.35 69.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.306 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -63.17 -42.67 99.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.593 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 104' ' ' GLU . 26.2 t -56.55 -63.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.975 0.417 . . . . 0.0 111.877 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.58 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.54 -48.27 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.148 -178.687 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 72.2 p -63.12 -30.89 71.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 111.523 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.78 -18.87 55.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.551 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.4 pp -119.55 -177.96 3.5 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.607 0.718 . . . . 0.0 112.49 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.636 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 69.95 -129.33 21.1 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.38 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.58 38.1 1.58 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt 61.7 62.44 1.29 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.376 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.8 OUTLIER -45.0 115.57 0.92 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.115 -178.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.4 p -56.31 151.26 13.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.528 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.421 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -69.34 -31.16 69.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.124 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.77 -49.4 70.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.73 -49.83 74.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.778 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.5 p -64.33 -31.9 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.458 ' HA ' HD11 ' A' ' 125' ' ' ILE . 31.4 t70 -69.36 -31.18 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.555 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.72 -52.37 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 111.709 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -55.66 -37.43 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.958 -179.386 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.634 ' O ' HG23 ' A' ' 130' ' ' ILE . 13.9 pt -74.27 -44.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -42.41 99.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.191 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -19.42 54.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.798 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.454 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -62.13 -52.0 65.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.612 0.244 . . . . 0.0 111.608 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.24 -54.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.782 0.325 . . . . 0.0 110.505 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.634 HG23 ' O ' ' A' ' 125' ' ' ILE . 19.5 pt 45.37 39.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.112 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.69 142.82 51.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.74 -150.27 49.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.61 -60.75 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -159.98 62.24 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -119.48 114.64 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.732 0.301 . . . . 0.0 110.719 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.957 HD11 ' HB2' ' A' ' 102' ' ' ALA . 23.5 mt -126.06 111.57 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.43 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -74.99 128.1 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.506 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.5 OUTLIER -79.74 0.89 28.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.691 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.08 -42.1 12.61 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 120.992 0.425 . . . . 0.0 110.31 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.37 -36.96 57.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.535 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 51.0 t80 -64.67 -48.08 76.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.773 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.752 ' O ' HG22 ' A' ' 146' ' ' VAL . 10.0 p -68.65 -33.49 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -74.05 -39.82 63.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.763 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.518 ' HE2' ' CZ ' ' B' 1919 ' ' TYR . 0.5 OUTLIER -71.06 -31.71 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.248 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.438 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -79.06 -31.56 44.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.618 0.247 . . . . 0.0 111.101 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.8 m -91.17 -29.8 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.78 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 30.33 5.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.795 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 108.22 19.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 14.1 mmtt 60.88 34.35 19.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 -40.16 23.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.778 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -70.07 -36.98 75.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.019 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.98 -57.03 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.41 ' HA ' HD12 ' B' 1910 ' ' ILE . 11.2 p -53.78 -40.21 42.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.369 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.765 ' OG ' HG21 ' A' ' 91' ' ' VAL . 3.0 m -58.36 -36.36 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.8 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -74.33 -26.73 60.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.41 HD12 ' HA ' ' B' 1907 ' ' VAL . 43.9 mt -62.52 -55.16 25.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.2 p -59.98 -39.11 79.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.663 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -60.91 -32.74 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.187 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -63.04 -42.98 99.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.55 178.699 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -32.89 70.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.365 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.54 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.507 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.4 m-85 -57.77 -38.33 75.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -58.0 -46.86 84.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.562 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.37 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 144' ' ' MET . 2.3 t80 -61.44 -58.36 8.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.1 -47.17 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.497 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1921 ' ' LEU . . . . . 0.482 HD12 ' C ' ' B' 1921 ' ' LEU . 4.2 pp -78.67 175.73 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.169 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1922 ' ' LYS . . . . . 0.433 ' N ' HD12 ' B' 1921 ' ' LEU . 5.0 pttp -176.79 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -121.97 39.91 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 9.6 mtpp 60.09 75.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 59.4 t 49.29 96.18 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.747 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -153.76 176.54 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.793 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.743 0.306 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -141.51 -68.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.77 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.48 165.68 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.727 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 174.5 -33.52 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.4 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.33 -26.42 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.014 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m -105.89 -57.64 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.342 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.662 ' HG3' HG11 ' A' ' 146' ' ' VAL . 3.0 mt-10 -60.79 -57.56 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.666 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -61.56 -35.63 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.665 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.49 -49.36 19.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 0.0 111.358 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.998 HD23 HG23 ' A' ' 142' ' ' VAL . 22.7 tp -60.36 -41.64 94.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.3 mt -66.96 -37.21 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.604 0.24 . . . . 0.0 110.987 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.86 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.22 -53.09 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.726 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.778 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.8 OUTLIER -62.81 -35.18 79.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.184 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -38.29 37.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.11 -22.01 22.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.635 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.13 29.89 7.38 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -52.99 -82.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 80.07 -47.95 0.33 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.944 0.898 . . . . 0.0 111.912 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.62 -30.0 71.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.791 0.329 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.09 -54.58 0.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.319 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -77.16 -41.09 43.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.349 . . . . 0.0 110.792 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 145.44 45.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.687 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 135' ' ' HIS . 5.1 mp -122.24 147.01 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.407 ' CD1' HD13 ' A' ' 105' ' ' LEU . 10.3 tt -124.51 150.0 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.9 t -88.44 134.12 33.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.989 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -68.72 -39.91 80.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.291 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.62 72.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.39 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 108' ' ' VAL . 49.1 mt-10 -76.4 -38.1 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.437 HD21 ' HE1' ' A' ' 124' ' ' MET . 33.2 tp -59.43 -29.29 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.706 ' HA ' HG11 ' A' ' 121' ' ' VAL . 8.0 ttt-85 -67.93 -51.61 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.264 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -64.14 -45.78 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.46 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.9 t -55.95 -61.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.498 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.5 mmt -61.53 -48.36 81.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.229 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 106' ' ' ARG . 69.2 p -64.07 -34.2 77.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.706 0.288 . . . . 0.0 111.357 -179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -76.06 -16.82 59.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.611 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -115.79 -176.75 3.0 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.262 0.553 . . . . 0.0 111.961 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.402 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.39 -133.23 35.83 Favored Glycine 0 C--N 1.335 0.51 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.28 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -99.36 41.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm 61.89 63.72 1.09 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.618 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.8 HD13 HG22 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -46.53 116.83 1.4 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.042 0.448 . . . . 0.0 111.987 -178.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -59.4 137.68 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.87 -27.19 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.342 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.01 -48.03 69.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.14 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.34 -34.23 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.244 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.8 HG22 HD13 ' A' ' 116' ' ' LEU . 41.1 t -79.31 -32.52 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.04 -30.74 65.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.18 -40.55 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.437 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -70.9 -33.99 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.69 -179.242 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 121' ' ' VAL . 22.8 pt -74.34 -37.27 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -28.46 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.22 -21.72 20.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.68 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -57.89 -51.28 70.26 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.4 t0 178.42 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 125' ' ' ILE . 30.5 mm 66.44 65.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.805 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -113.99 130.43 56.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.993 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.41 7.12 63.34 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.294 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.87 77.23 0.27 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.305 0.552 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 139.17 -22.43 2.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.941 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.611 ' HB3' HD22 ' A' ' 99' ' ' LEU . 10.9 m-70 -112.06 121.15 44.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' A' ' 102' ' ' ALA . 24.6 mt -137.05 102.76 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.95 128.6 37.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.542 ' O ' HG12 ' A' ' 142' ' ' VAL . 8.2 p90 -85.05 7.79 20.2 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -89.44 -39.22 13.52 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.024 0.44 . . . . 0.0 110.16 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.48 -37.75 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.466 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 42.2 t80 -65.51 -48.09 73.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.766 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.998 HG23 HD23 ' A' ' 85' ' ' LEU . 13.3 p -65.99 -34.25 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.556 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -44.68 59.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.775 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -31.67 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -28.1 44.63 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.41 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.766 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.4 m -97.63 -24.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.664 0.268 . . . . 0.0 111.519 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.0 t -95.73 38.69 1.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.804 0.335 . . . . 0.0 111.063 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.3 tttt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.8 179.847 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.797 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -102.27 120.78 41.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.58 68.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.44 15.54 5.35 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.192 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -54.73 -41.84 70.83 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.742 0.306 . . . . 0.0 111.303 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.97 -46.91 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -51.08 -51.41 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 111.253 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.554 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER -58.44 -29.62 66.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -74.08 -24.08 59.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.019 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.45 -52.01 32.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.549 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.57 -42.04 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.804 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.778 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.5 tt -60.96 -32.35 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.152 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.429 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.2 tt0 -62.91 -37.86 88.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.596 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -62.98 -35.28 79.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.973 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.93 97.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.533 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.9 m-85 -59.9 -40.58 89.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1917 ' ' ARG . . . . . 0.77 ' O ' HD23 ' B' 1921 ' ' LEU . 12.1 mtt180 -60.61 -43.41 97.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -69.73 -32.69 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.252 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.4 -60.74 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.84 -32.38 72.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1921 ' ' LEU . . . . . 0.77 HD23 ' O ' ' B' 1917 ' ' ARG . 3.5 mm? -68.61 -174.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.37 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.59 168.72 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 18.9 pttp -98.78 36.76 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1925 ' ' VAL . . . . . 0.568 HG13 ' O ' ' B' 1925 ' ' VAL . 11.0 p -72.35 110.23 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.028 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 14.4 tptt -69.41 136.16 51.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1927 ' ' LYS . . . . . 0.404 ' HD2' HG13 ' B' 1925 ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.2 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.96 0.409 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.55 -40.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.18 -168.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -169.6 58.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.682 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.29 -12.5 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.028 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -30.82 9.52 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.643 0.258 . . . . 0.0 111.376 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -57.31 4.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -70.35 -31.01 68.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.94 -46.33 36.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 111.49 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.982 HD23 HG23 ' A' ' 142' ' ' VAL . 47.1 tp -64.97 -48.87 72.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.323 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.7 mt -59.61 -40.15 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.626 0.25 . . . . 0.0 111.023 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -70.9 -44.23 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 110.742 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.25 -43.69 95.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.622 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -52.61 -37.62 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.573 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.656 HG21 ' OG ' ' B' 1908 ' ' SER . 24.2 t -63.3 -26.46 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.004 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -107.82 29.15 7.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -60.62 141.95 56.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -95.24 -80.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.08 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -176.57 37.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.824 0.345 . . . . 0.0 111.161 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.789 ' O ' HD13 ' A' ' 99' ' ' LEU . . . -135.42 37.9 1.86 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.367 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 t30 63.3 28.03 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 110.954 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . 120.45 44.89 0.41 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.834 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 96' ' ' GLY . 8.7 mp -109.79 150.3 28.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.313 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.762 HD11 HD13 ' A' ' 105' ' ' LEU . 16.0 tt -141.47 133.67 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 t -80.69 133.3 35.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.888 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.89 -32.89 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.24 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -53.03 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.857 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.7 pt-20 -77.55 -41.86 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.788 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 100' ' ' ILE . 37.2 tp -53.13 -29.74 32.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.48 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.759 ' HA ' HG21 ' A' ' 121' ' ' VAL . 1.8 ttt-85 -68.18 -51.78 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -65.73 -38.23 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 104' ' ' GLU . 36.5 t -58.68 -64.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.545 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.4 -48.23 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.114 -178.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 60.6 p -60.95 -43.56 98.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 111.477 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.23 -18.19 64.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.637 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.487 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -113.5 -177.52 3.15 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.545 0.688 . . . . 0.0 112.174 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.9 -136.03 35.39 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.364 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -98.06 43.18 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 61.68 63.66 1.13 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.5 OUTLIER -45.76 118.08 1.7 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.009 0.433 . . . . 0.0 111.901 -179.019 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -57.1 149.56 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.579 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.489 ' HA ' HG12 ' A' ' 121' ' ' VAL . 6.9 m-20 -69.52 -26.46 64.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.365 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.91 -39.63 69.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.718 0.294 . . . . 0.0 111.351 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -72.38 -40.84 66.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.362 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.759 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.8 p -67.23 -32.44 57.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.16 -42.67 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -44.31 96.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -68.44 -46.34 70.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' VAL . 20.4 pt -63.76 -35.23 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -35.05 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.048 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.58 -4.68 59.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.089 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -79.31 -51.5 9.35 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -178.4 -68.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.746 0.308 . . . . 0.0 111.007 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 125' ' ' ILE . 31.1 mm 58.17 99.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -176.97 133.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.344 . . . . 0.0 111.238 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.09 100.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.816 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.0 t70 56.27 29.62 15.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.773 0.32 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.84 23.65 65.75 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.72 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.605 ' CG ' HD23 ' A' ' 99' ' ' LEU . 29.3 m170 -65.41 135.43 55.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.669 0.271 . . . . 0.0 110.575 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.888 HD11 ' HB2' ' A' ' 102' ' ' ALA . 14.9 mt -135.61 120.42 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.762 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.28 129.68 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.984 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.522 ' O ' HG12 ' A' ' 142' ' ' VAL . 2.2 p90 -83.86 7.39 18.22 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -89.29 -42.67 11.46 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.087 0.47 . . . . 0.0 110.447 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -76.96 -36.77 56.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.416 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.878 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.982 HG23 HD23 ' A' ' 85' ' ' LEU . 14.5 p -64.59 -33.77 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -72.67 -44.21 62.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.751 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -32.02 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.437 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -76.46 -31.01 57.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.651 0.262 . . . . 0.0 111.578 -179.309 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 142' ' ' VAL . 14.6 p -95.81 -35.14 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.118 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.1 24.5 5.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.926 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.879 0.371 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.77 174.03 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1903 ' ' LYS . . . . . 0.416 ' O ' HG23 ' B' 1907 ' ' VAL . 8.7 mmtp -96.86 39.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.55 -18.82 54.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.539 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -54.28 -65.59 0.55 Allowed 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.673 0.273 . . . . 0.0 111.503 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -31.28 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.709 ' O ' HG22 ' B' 1910 ' ' ILE . 42.8 t -61.19 -63.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.999 0.428 . . . . 0.0 110.253 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.662 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -57.14 -24.51 54.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.003 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -81.75 -23.2 36.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.554 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.761 HD13 ' O ' ' B' 1910 ' ' ILE . 0.2 OUTLIER -74.41 -36.78 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.459 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.405 HG13 ' N ' ' B' 1912 ' ' ILE . 9.3 p -73.52 -41.59 56.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.638 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.1 tt -60.68 -30.94 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.449 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 2.5 tt0 -66.61 -43.34 85.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -32.72 71.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.025 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.25 99.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.52 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.3 m-85 -60.15 -34.92 74.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.078 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -39.95 93.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.949 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -74.57 -35.72 63.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.195 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.437 ' CD1' ' HB2' ' A' ' 145' ' ' MET . 3.7 t80 -60.37 -51.24 70.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.177 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -48.71 62.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 34.2 mt -72.76 167.01 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.77 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -131.27 166.53 20.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.02 80.21 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.7 mttt -63.72 -168.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 86.2 t 51.22 94.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.467 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 40.9 mttt -132.11 117.43 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 4.4 tptt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.972 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.849 0.356 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.5 -73.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.05 171.93 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -127.63 0.0 6.15 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.123 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.89 -30.61 69.12 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.752 0.31 . . . . 0.0 111.221 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m -109.31 -49.79 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.234 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 86' ' ' ILE . 11.5 tt0 -54.31 -57.19 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.852 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.01 -46.4 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 111.552 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -60.78 -49.97 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -55.83 -54.04 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.417 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.6 mt -54.04 -38.62 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.203 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 91' ' ' VAL . 4.2 tm-20 -71.4 -45.42 62.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.974 0.416 . . . . 0.0 110.667 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.605 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.58 -51.9 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.24 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.587 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.01 -35.99 82.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -54.15 -37.44 64.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.73 HG21 ' CB ' ' B' 1908 ' ' SER . 18.6 t -59.02 -28.61 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.153 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -109.7 28.85 8.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.43 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.27 120.52 16.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.689 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -115.07 -47.0 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.243 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -34.03 71.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.045 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.95 -55.13 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.543 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.59 -32.22 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.718 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.35 43.84 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.623 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 135' ' ' HIS . 3.3 mp -123.48 158.6 30.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 105' ' ' LEU . 14.0 tt -138.7 142.64 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 135.92 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.057 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -69.93 -42.75 72.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -52.82 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.7 mm-40 -68.85 -38.42 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.718 HD21 ' HE1' ' A' ' 124' ' ' MET . 16.5 tp -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.856 ' HA ' HG21 ' A' ' 121' ' ' VAL . 48.5 ttp85 -61.19 -51.76 67.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -60.49 -42.17 95.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.693 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.1 t -58.92 -65.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.913 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.449 ' HE3' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.97 -41.77 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.449 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.4 p -67.48 -29.87 69.42 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.187 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.33 -16.49 52.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.622 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.506 ' CD1' ' HB1' ' B' 1909 ' ' ALA . 4.2 pp -116.31 -176.46 2.96 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 0.0 111.844 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.77 -135.44 32.84 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.88 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -99.99 43.02 1.08 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt 62.12 64.17 1.01 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.469 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -46.2 130.55 10.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.875 -179.009 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.522 ' N ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -68.04 151.32 47.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.341 -179.316 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.437 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -68.53 -29.64 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.987 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -47.96 66.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.856 HG21 ' HA ' ' A' ' 106' ' ' ARG . 13.6 p -80.67 -32.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -72.48 -32.2 66.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -35.9 42.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.428 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.718 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.51 -33.67 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.506 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.694 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.8 pt -74.67 -36.97 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.355 . . . . 0.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.653 ' HA ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -68.15 -32.42 72.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.734 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.54 -12.49 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.716 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -71.93 -52.32 17.8 Favored 'General case' 0 C--N 1.334 -0.081 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 178.07 -61.33 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.499 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 125' ' ' ILE . 36.5 pt 43.69 60.51 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.301 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -119.54 172.2 7.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.979 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.45 -123.13 32.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.17 36.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.773 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.4 21.56 47.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.768 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.458 ' HB3' HD22 ' A' ' 99' ' ' LEU . 36.6 m-70 -77.93 136.77 38.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.728 0.299 . . . . 0.0 110.493 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 1.057 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.5 mt -135.34 103.34 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.674 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -69.07 121.76 17.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.492 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.69 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.7 OUTLIER -72.57 -6.62 45.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -81.04 -43.09 20.08 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.466 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -74.24 -38.26 63.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 109.85 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 36.3 t80 -60.52 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.994 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 138' ' ' TYR . 14.5 p -69.08 -36.1 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -57.96 -53.49 57.64 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -32.65 65.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.407 ' CG ' ' CD1' ' B' 1919 ' ' TYR . 5.8 ttm -57.94 -29.42 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.9 m -116.08 -40.77 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.906 0.384 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.77 16.46 14.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.649 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.037 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 4.0 mptt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.67 135.1 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.003 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1903 ' ' LYS . . . . . 0.493 ' O ' HG23 ' B' 1907 ' ' VAL . 9.5 mmtp -109.12 122.66 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.785 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -31.48 30.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1905 ' ' GLU . . . . . 0.483 ' HA ' HG11 ' A' ' 91' ' ' VAL . 2.7 mt-10 -58.04 -51.63 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.308 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' 1909 ' ' ALA . 26.4 pt-20 -56.51 -44.51 80.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' 1903 ' ' LYS . 24.4 t -48.85 -53.02 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.169 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.73 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -58.99 -28.63 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.189 178.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.506 ' HB1' ' CD1' ' A' ' 112' ' ' LEU . . . -73.3 -29.88 63.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.129 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.91 -53.25 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.736 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.2 p -57.26 -42.15 79.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.605 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -59.75 -33.28 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.088 0.47 . . . . 0.0 110.377 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.413 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.5 OUTLIER -63.56 -39.01 93.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.736 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.329 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.12 96.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.482 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.413 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.6 m-85 -58.11 -53.65 55.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.172 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -56.9 -34.58 68.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -33.57 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.804 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.407 ' CD1' ' CG ' ' A' ' 145' ' ' MET . 22.4 t80 -65.35 -47.38 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.371 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 mp -71.71 -29.41 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.23 -92.06 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.793 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 36.2 mttm 43.98 29.71 0.35 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.49 -74.41 0.57 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.149 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.5 pttm -77.31 68.5 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.082 0.467 . . . . 0.0 111.067 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t -100.34 -32.67 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.78 -80.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 28.8 mttt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.86 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.92 -63.22 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.694 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 59.06 172.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -176.93 37.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.9 -31.36 70.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.985 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m -102.13 -46.38 4.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.193 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 86' ' ' ILE . 21.3 tt0 -57.06 -57.17 13.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.539 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.64 -43.61 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.684 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.87 -49.56 65.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.636 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 85' ' ' LEU . 2.6 tm? -56.49 -51.34 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.397 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.703 HG22 ' HE2' ' A' ' 90' ' ' LYS . 32.7 mt -54.85 -41.38 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.338 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -73.28 -43.78 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.939 0.399 . . . . 0.0 110.818 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.64 -45.8 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.236 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -70.23 -35.37 73.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 110.66 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.703 ' HE2' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -51.51 -42.3 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.934 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 t -60.61 -30.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.851 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' B' 1909 ' ' ALA . 43.4 m-85 -106.32 28.85 7.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.18 -95.3 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 54.19 20.97 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 99' ' ' LEU . 2.7 m-20 -97.77 -19.69 18.03 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.052 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.89 -79.1 0.2 Allowed Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.186 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.19 -30.34 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.807 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.608 ' C ' HD12 ' A' ' 99' ' ' LEU . . . 168.51 52.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.252 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.867 HD23 ' HB3' ' A' ' 135' ' ' HIS . 9.0 mp -121.06 165.81 14.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 111.633 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.46 156.81 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -92.31 139.68 30.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.89 -47.44 59.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -48.46 81.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 108' ' ' VAL . 16.1 mt-10 -70.27 -41.44 73.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.21 -39.52 86.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.818 ' HA ' HG21 ' A' ' 121' ' ' VAL . 19.5 ttm180 -58.82 -51.3 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.259 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.459 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 23.3 t60 -62.41 -49.22 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 104' ' ' GLU . 22.6 t -55.47 -58.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.952 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.1 mmt -60.35 -47.98 83.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.167 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 106' ' ' ARG . 82.5 p -65.2 -38.1 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 111.593 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 2.0 m-80 -72.84 -15.69 61.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.474 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.3 pp -117.26 -176.18 2.95 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.351 0.596 . . . . 0.0 112.231 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.464 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.33 -132.08 35.65 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.408 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.32 40.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.41 61.93 1.2 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.525 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -45.92 119.53 2.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.972 -179.044 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.1 p -56.88 150.27 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.486 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.38 -30.26 68.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -70.03 -49.1 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.346 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.92 -44.66 94.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.818 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.6 p -65.59 -33.01 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.416 ' HA ' HD11 ' A' ' 125' ' ' ILE . 8.2 t0 -63.92 -34.05 77.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.274 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -71.07 -51.41 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.192 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.2 ptm -58.91 -45.59 89.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.836 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.3 pt -66.14 -29.83 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -40.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.68 -4.87 58.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.089 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -78.5 -51.33 10.14 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.06 -46.82 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 125' ' ' ILE . 1.1 pt 38.92 -89.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.31 170.94 0.28 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -58.42 -42.06 95.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.702 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -30.57 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.19 -18.3 57.64 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.026 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.867 ' HB3' HD23 ' A' ' 99' ' ' LEU . 4.8 m170 -62.36 153.71 30.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.823 0.312 . . . . 0.0 110.643 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.868 HD11 ' HB2' ' A' ' 102' ' ' ALA . 13.1 mt -146.13 111.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.669 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.754 ' ND2' HD11 ' A' ' 99' ' ' LEU . 5.2 m120 -78.04 122.07 25.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.276 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.589 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -75.05 -3.86 35.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.38 -38.99 15.68 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.9 0.381 . . . . 0.0 110.353 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.56 -36.95 57.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.756 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 12.6 t80 -65.6 -49.01 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.893 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.779 ' O ' HG22 ' A' ' 146' ' ' VAL . 13.0 p -68.66 -33.04 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.685 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.51 -54.04 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -31.29 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.793 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.424 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 9.6 ttm -61.56 -40.53 95.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 142' ' ' VAL . 30.8 m -99.37 -29.73 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.533 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 t -98.58 35.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.994 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -52.49 47.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -139.68 166.47 24.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -70.57 64.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 111.242 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.89 -53.61 20.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.95 -43.79 77.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 23.1 t -52.88 -50.74 42.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.263 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.523 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.7 m -57.26 -30.55 64.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.49 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.51 ' O ' HG22 ' B' 1912 ' ' ILE . . . -72.97 -27.36 61.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.98 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 22.1 mt -66.6 -53.27 37.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.737 0.304 . . . . 0.0 110.687 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -58.58 -39.62 76.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.816 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.701 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -60.68 -34.68 59.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.368 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.433 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -62.54 -39.63 94.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.705 178.805 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -61.12 -33.36 73.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.148 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.93 87.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 11.1 m-85 -58.19 -35.32 71.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1917 ' ' ARG . . . . . 0.49 ' O ' HD12 ' B' 1921 ' ' LEU . 17.9 ttt85 -59.87 -46.93 87.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.493 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.48 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.469 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 24.2 t80 -58.59 -62.81 1.58 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.62 -30.76 68.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1921 ' ' LEU . . . . . 0.49 HD12 ' O ' ' B' 1917 ' ' ARG . 0.8 OUTLIER -75.22 65.52 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.739 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.9 -177.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.02 -166.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.64 119.91 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -99.56 -37.32 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.97 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.38 36.65 3.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.3 mtpt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.949 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.6 mmt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.93 101.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -178.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -112.31 -177.7 3.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.97 -22.28 66.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.541 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -101.66 -45.82 5.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.632 0.253 . . . . 0.0 111.509 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.57 -57.31 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.15 -45.94 62.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.542 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.071 HD23 HG23 ' A' ' 142' ' ' VAL . 20.9 tp -60.13 -48.51 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.5 mt -60.54 -39.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 110.8 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.49 -50.42 73.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.808 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.6 OUTLIER -64.23 -35.91 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.201 0.524 . . . . 0.0 110.472 179.528 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -38.72 58.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.735 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.422 HG12 ' OE1' ' B' 1905 ' ' GLU . 18.9 t -59.2 -31.17 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.789 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -102.49 29.12 5.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -85.42 93.24 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.575 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -19.13 11.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.851 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -38.95 78.66 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.826 0.346 . . . . 0.0 111.101 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.69 -69.02 0.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -76.48 -35.75 58.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.774 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.5 43.87 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.693 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.403 HD22 ' HB3' ' A' ' 135' ' ' HIS . 5.5 mp -117.65 166.63 12.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.978 0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 tt -144.18 150.03 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.83 135.21 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.024 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.85 -33.31 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.261 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.3 59.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.864 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -73.75 -38.47 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.88 -33.14 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.807 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -65.62 -50.55 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -65.0 -43.4 92.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.29 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 104' ' ' GLU . 35.5 t -58.79 -59.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.632 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.476 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.2 mmt -60.78 -48.35 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.075 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 106' ' ' ARG . 75.2 p -62.77 -47.93 81.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -63.13 -17.85 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.807 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 113' ' ' GLY . 3.8 pp -117.55 -175.62 2.85 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.456 0.646 . . . . 0.0 112.285 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.66 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 66.7 -134.09 32.49 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.278 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -99.1 41.96 1.12 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm 61.83 62.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.624 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -47.33 117.94 1.97 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.822 -179.157 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -56.84 152.66 12.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.516 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.53 -28.98 66.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.304 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.34 -47.97 45.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.27 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.12 -41.88 93.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.222 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.807 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.6 p -68.25 -32.8 57.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -40.07 79.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.605 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.29 -52.11 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.456 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.622 ' HE2' HG23 ' A' ' 121' ' ' VAL . 4.4 ptt? -60.16 -50.51 73.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.88 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 121' ' ' VAL . 18.8 pt -58.77 -27.48 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 0.0 111.62 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -42.83 62.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.04 -4.77 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.859 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.451 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -70.11 -52.01 27.11 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 176.52 -63.85 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.982 0.42 . . . . 0.0 110.332 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 125' ' ' ILE . 1.3 pt 38.85 45.44 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.755 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -55.73 -56.71 17.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.485 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -95.86 31.0 7.66 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.662 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.21 28.85 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -167.76 -57.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.437 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.403 ' HB3' HD22 ' A' ' 99' ' ' LEU . 35.1 m170 -67.11 133.74 50.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 110.474 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 1.024 HD11 ' HB2' ' A' ' 102' ' ' ALA . 23.6 mt -139.68 113.01 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 111.673 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -79.67 125.38 29.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.612 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -76.71 -0.99 25.68 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -87.17 -40.7 14.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.257 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.43 -36.27 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 8.9 t80 -65.3 -48.15 74.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.904 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 1.071 HG23 HD23 ' A' ' 85' ' ' LEU . 10.3 p -67.95 -36.21 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -59.16 -53.07 62.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.579 ' HE3' ' HA ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -71.98 -31.83 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.625 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.579 ' HA ' ' HE3' ' A' ' 144' ' ' MET . 1.7 ttp -58.39 -39.26 79.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 111.201 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 142' ' ' VAL . 4.5 m -104.31 -29.07 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.385 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.2 t -106.8 39.24 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 13.7 tttm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.026 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 4.9 tttp . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -108.15 -42.42 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.58 138.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -70.34 71.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.732 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1905 ' ' GLU . . . . . 0.422 ' OE1' HG12 ' A' ' 91' ' ' VAL . 3.5 mm-40 -69.7 -54.43 13.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.607 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -37.65 77.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.27 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.739 ' O ' HG22 ' B' 1910 ' ' ILE . 37.5 t -58.77 -60.86 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.631 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.3 m -55.01 -24.46 24.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.571 ' O ' HG22 ' B' 1912 ' ' ILE . . . -78.54 -27.91 46.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.66 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.838 HD13 ' O ' ' B' 1910 ' ' ILE . 0.1 OUTLIER -74.67 -34.98 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.784 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -70.66 -38.75 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.808 HD11 ' CD2' ' A' ' 89' ' ' PHE . 3.0 tt -63.23 -32.85 57.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.837 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 5.6 tt0 -62.7 -40.03 95.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.464 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -60.68 -33.75 73.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.041 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1915 ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -59.11 -48.3 82.11 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.472 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.1 m-85 -56.14 -39.27 72.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.699 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -59.4 -39.32 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.203 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -73.06 -34.09 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 20.3 t80 -58.94 -59.78 4.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.8 mp -64.72 -35.37 80.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.675 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.14 58.97 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.95 37.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -89.27 88.25 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.798 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1924 ' ' LYS . . . . . 0.638 ' O ' HG12 ' B' 1925 ' ' VAL . 7.8 tppt? -62.73 -62.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1925 ' ' VAL . . . . . 0.638 HG12 ' O ' ' B' 1924 ' ' LYS . 6.9 p 53.36 163.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 O-C-N 123.798 0.687 . . . . 0.0 112.039 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1926 ' ' LYS . . . . . 0.423 ' N ' HG22 ' B' 1925 ' ' VAL . 0.0 OUTLIER -56.58 135.62 54.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.223 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.906 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.5 mtt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.785 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -128.55 -52.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 58.66 -178.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 -173.48 36.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -68.6 -27.53 66.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.233 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m -99.16 -41.68 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -55.69 -57.3 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.459 -179.558 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.91 -47.93 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.699 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.4 -48.08 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.464 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 89' ' ' PHE . 2.5 tm? -57.51 -49.7 75.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.8 mt -58.39 -40.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.697 0.284 . . . . 0.0 111.162 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -69.91 -47.39 62.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.042 0.448 . . . . 0.0 110.6 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.24 -51.73 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.638 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.1 OUTLIER -62.68 -35.83 80.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.326 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -50.89 -42.66 59.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.713 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.428 HG21 ' OG ' ' B' 1908 ' ' SER . 22.2 t -60.61 -26.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.022 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -111.27 26.86 10.24 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.22 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -81.4 -102.63 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.637 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 51.54 23.18 1.76 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.55 -23.05 17.83 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.123 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.5 -62.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.557 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.536 ' H ' HD12 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -152.6 28.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.641 0.258 . . . . 0.0 111.056 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.42 41.55 0.53 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.707 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.657 HD22 ' HB3' ' A' ' 135' ' ' HIS . 1.8 mp -123.89 165.28 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.429 HD13 ' CE1' ' A' ' 89' ' ' PHE . 4.7 tt -144.57 143.23 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.115 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.27 136.95 33.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.792 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.08 -35.13 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.282 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.47 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.238 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.892 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 mm-40 -78.13 -36.18 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.609 HD21 ' HE1' ' A' ' 124' ' ' MET . 30.7 tp -58.28 -37.76 75.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.231 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.812 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -61.0 -51.3 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.68 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -63.16 -45.32 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.335 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 104' ' ' GLU . 23.6 t -56.79 -61.5 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.899 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.41 ' HG2' HD12 ' A' ' 105' ' ' LEU . 13.5 mmt -59.91 -48.26 82.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 106' ' ' ARG . 67.4 p -64.39 -40.2 95.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 111.384 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.09 -13.81 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.917 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.3 pp -117.09 -175.63 2.83 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.398 0.618 . . . . 0.0 112.154 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.5 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 63.47 -134.89 41.96 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.239 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -98.68 43.33 1.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 61.65 61.27 1.48 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.639 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 117' ' ' THR . 0.5 OUTLIER -46.59 125.37 6.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.016 -179.07 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.406 ' N ' HD23 ' A' ' 116' ' ' LEU . 1.2 p -61.18 151.93 30.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.399 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' HG12 ' A' ' 121' ' ' VAL . 14.3 t70 -68.97 -31.01 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.946 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -47.42 69.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.87 -39.61 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.812 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.9 p -78.36 -32.59 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -72.26 -30.09 64.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -79.64 -36.05 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.631 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.609 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.29 -33.69 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.688 -179.303 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' VAL . 18.6 pt -74.58 -42.99 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.508 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.995 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.68 -25.17 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.315 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.2 70.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.633 0.254 . . . . 0.0 111.413 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.94 -56.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.801 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.533 HD11 ' C ' ' A' ' 125' ' ' ILE . 32.3 mm 68.39 -71.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t0 55.71 -167.85 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.59 173.21 45.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.45 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.687 0.279 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 155.01 66.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.577 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.657 ' HB3' HD22 ' A' ' 99' ' ' LEU . 43.1 m-70 -140.94 116.97 10.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.6 mt -119.76 109.33 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.345 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.629 ' OD1' HD23 ' A' ' 99' ' ' LEU . 1.3 m120 -68.89 127.05 31.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.54 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.436 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -82.45 4.91 22.32 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.2 -39.49 13.51 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.62 -41.4 46.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.419 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.446 ' CE2' ' CE ' ' A' ' 145' ' ' MET . 45.6 t80 -63.44 -46.49 86.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.942 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.539 ' O ' HG22 ' A' ' 146' ' ' VAL . 8.7 p -66.37 -34.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -70.2 -41.98 72.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.887 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.451 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.8 ptm -71.44 -33.54 69.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.604 ' HG3' HG13 ' A' ' 146' ' ' VAL . 13.1 ptp -69.58 -35.34 75.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.604 HG13 ' HG3' ' A' ' 145' ' ' MET . 30.0 m -93.4 -44.34 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.448 ' N ' HG23 ' A' ' 146' ' ' VAL . 0.2 OUTLIER -84.8 -3.95 58.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.965 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -60.33 153.88 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.84 106.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -35.64 24.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.77 -47.58 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.673 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.44 -54.59 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.4 p -48.82 -41.19 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 111.294 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.531 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.5 m -61.42 -36.01 79.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.307 0.575 . . . . 0.0 109.568 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.536 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.22 -26.22 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.606 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.95 -51.49 72.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 120.703 0.287 . . . . 0.0 110.315 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.42 HG12 ' O ' ' B' 1908 ' ' SER . 11.3 p -64.22 -36.83 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.869 0.366 . . . . 0.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.638 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.1 tt -63.21 -33.63 62.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.91 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.43 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -64.0 -40.58 96.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.537 178.761 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -33.69 74.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.849 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.126 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.1 m-85 -61.72 -36.29 80.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.992 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -59.47 -43.31 93.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.36 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -74.14 -29.13 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.331 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.451 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 6.2 t80 -63.61 -43.77 95.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.256 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -51.02 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.024 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.76 -63.63 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 4.4 ttpp 63.33 152.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.5 129.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.5 tttp -154.77 83.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.01 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -96.77 100.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 22.6 mttp 61.94 115.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 9.6 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.829 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.793 0.33 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.8 93.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.46 176.96 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -146.38 32.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -63.15 -28.02 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.533 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -102.27 -32.62 9.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.325 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.8 tt0 -61.45 -56.93 14.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.248 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -70.12 -29.67 66.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.367 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.69 -50.28 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.194 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.929 HD23 HG23 ' A' ' 142' ' ' VAL . 28.4 tp -59.98 -49.0 79.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.175 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 82' ' ' GLU . 26.7 mt -59.66 -38.51 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.937 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.54 -46.35 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.414 . . . . 0.0 110.813 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.44 -45.68 92.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.75 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.7 OUTLIER -65.5 -35.55 81.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.116 0.484 . . . . 0.0 110.436 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -39.97 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.424 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.38 -29.02 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.71 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -103.21 29.38 5.59 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -80.24 116.88 20.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.778 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -112.69 -36.84 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.722 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -63.39 -28.08 69.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.5 -48.05 1.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.41 -43.49 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.423 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 148.77 46.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.71 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 99' ' ' LEU . 4.5 mp -125.66 153.73 43.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.725 0.298 . . . . 0.0 110.769 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 105' ' ' LEU . 11.7 tt -135.59 142.23 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.271 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.21 135.45 36.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.955 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.16 -40.29 71.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.216 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.98 -53.07 62.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.867 ' O ' HG23 ' A' ' 108' ' ' VAL . 23.9 mt-10 -72.59 -40.97 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.614 HD21 ' HE1' ' A' ' 124' ' ' MET . 46.2 tp -57.97 -28.49 64.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.398 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.764 ' HA ' HG21 ' A' ' 121' ' ' VAL . 52.3 ttp180 -70.33 -51.74 27.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.338 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -63.74 -36.73 84.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 104' ' ' GLU . 41.4 t -63.85 -63.61 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -59.97 -45.64 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.089 -178.669 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 106' ' ' ARG . 73.2 p -63.88 -36.59 84.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.371 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -73.36 -16.9 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.414 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.51 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -115.4 -177.1 3.06 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-O 121.457 0.646 . . . . 0.0 112.214 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.93 -134.3 37.34 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.42 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -98.37 42.79 1.08 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 61.65 61.25 1.48 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.576 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.549 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -45.77 117.94 1.65 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.052 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -60.94 153.59 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.124 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.473 ' HA ' HG12 ' A' ' 121' ' ' VAL . 19.9 t0 -68.72 -29.08 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.73 -48.22 69.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.75 -41.83 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.188 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.764 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.6 p -76.07 -32.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.62 -30.8 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.24 -37.59 44.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.606 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.614 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -75.11 -33.98 61.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.675 -179.416 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.722 HG23 ' O ' ' A' ' 121' ' ' VAL . 20.7 pt -74.36 -36.3 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 111.669 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -29.31 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -21.58 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.613 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.67 68.8 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' O ' HG12 ' A' ' 130' ' ' ILE . 0.1 OUTLIER 170.48 -63.82 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.544 HG13 ' N ' ' A' ' 131' ' ' ASP . 4.1 pt 63.3 -51.27 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.544 ' N ' HG13 ' A' ' 130' ' ' ILE . 2.3 t70 57.03 50.99 11.12 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.555 0.616 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.05 33.71 8.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.35 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.01 87.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.766 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -178.43 -121.34 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.594 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -62.84 145.48 54.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.77 0.319 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.955 HD11 ' HB2' ' A' ' 102' ' ' ALA . 28.2 mt -141.75 105.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.399 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.58 130.68 43.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.294 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.519 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -84.18 6.65 21.73 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -41.67 12.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.981 0.419 . . . . 0.0 110.347 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.87 -36.22 56.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -66.77 -49.19 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.8 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.929 HG23 HD23 ' A' ' 85' ' ' LEU . 14.1 p -64.33 -36.58 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.494 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -72.99 -42.72 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.857 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.473 ' HE3' ' C ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -71.77 -31.93 67.14 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.009 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -28.73 54.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.621 0.248 . . . . 0.0 111.645 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 142' ' ' VAL . 14.1 p -99.12 -35.66 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.279 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.52 24.57 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.046 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.818 0.342 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.17 36.03 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.998 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -98.82 -33.38 10.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -83.28 -32.57 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.648 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -72.67 -37.09 68.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.726 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -66.57 -49.5 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 14.6 m -54.14 -45.4 66.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.844 0.354 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.41 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 55.8 p -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.183 0.516 . . . . 0.0 109.898 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -75.14 -18.71 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.137 179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.94 -47.55 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.068 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.1 p -65.31 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 89' ' ' PHE . 3.3 tt -62.15 -33.21 57.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.115 0.483 . . . . 0.0 110.065 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.436 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -61.99 -43.38 98.95 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.347 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -28.68 68.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.215 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1915 ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -64.13 -44.56 91.83 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.217 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -59.19 -34.86 72.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.476 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -60.43 -49.97 75.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -33.73 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.398 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.441 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 10.8 t80 -59.1 -49.96 75.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.541 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.6 mp -75.14 -57.67 3.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -168.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.733 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 5.8 tttt 65.95 44.1 2.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 59.58 109.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 4.0 tptt -115.84 120.83 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1925 ' ' VAL . . . . . 0.496 HG12 ' H ' ' B' 1927 ' ' LYS . 21.5 t -109.67 146.75 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -36.48 45.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1927 ' ' LYS . . . . . 0.496 ' H ' HG12 ' B' 1925 ' ' VAL . 14.8 tttm . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.6 mmt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.836 0.35 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.1 121.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.545 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -107.21 30.14 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.245 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.58 21.82 7.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.54 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.82 -28.35 64.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.688 0.28 . . . . 0.0 111.221 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -98.39 -48.47 5.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.33 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.486 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -56.32 -57.51 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.584 -179.617 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.95 -46.73 86.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.637 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.81 -50.28 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.525 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.565 HD13 ' C ' ' A' ' 85' ' ' LEU . 2.6 tm? -57.18 -53.09 62.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.443 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 82' ' ' GLU . 29.8 mt -55.14 -39.62 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.381 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -72.85 -42.9 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.138 0.494 . . . . 0.0 110.761 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.07 -45.55 92.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.967 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.644 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -69.26 -35.31 75.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.671 179.833 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.39 -42.47 61.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.2 t -59.53 -27.36 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' CZ ' ' OG ' ' B' 1908 ' ' SER . 52.2 m-85 -101.07 29.12 4.82 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.022 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -59.3 141.39 54.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -101.25 -82.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -177.91 37.56 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.792 0.33 . . . . 0.0 111.049 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.757 ' HA3' HD12 ' A' ' 99' ' ' LEU . . . -138.09 45.63 1.04 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.496 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 58.79 30.18 19.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.441 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 112.17 48.24 0.67 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.407 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.757 HD12 ' HA3' ' A' ' 96' ' ' GLY . 28.1 mt -112.9 152.88 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.05 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 tt -145.76 133.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -74.53 138.49 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.004 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.25 -36.96 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.262 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -53.04 62.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.865 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -73.73 -38.93 64.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.9 tp -57.57 -31.88 66.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.816 ' HA ' HG21 ' A' ' 121' ' ' VAL . 8.7 ttp180 -68.47 -51.23 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -63.65 -44.93 92.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.349 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 104' ' ' GLU . 38.3 t -56.96 -61.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.755 -179.424 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.441 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.2 mmt -60.92 -48.23 82.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.189 -178.777 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 106' ' ' ARG . 70.8 p -64.53 -38.77 92.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.603 -179.377 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -71.31 -17.51 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.725 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.3 pp -118.58 179.48 4.11 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-O 121.516 0.674 . . . . 0.0 112.267 -179.489 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.655 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 71.78 -129.83 16.58 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.227 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -101.42 39.21 1.46 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm 62.23 61.86 1.25 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.461 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.541 HD21 ' OE1' ' A' ' 120' ' ' GLU . 0.4 OUTLIER -45.92 119.01 2.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.977 -179.015 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 p -56.13 147.76 19.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.618 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.36 -27.12 65.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.78 -48.43 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.541 ' OE1' HD21 ' A' ' 116' ' ' LEU . 3.9 tt0 -59.92 -44.21 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.816 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.1 p -65.25 -32.54 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.31 -36.66 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.07 -52.21 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.631 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.698 ' HE2' HG23 ' A' ' 121' ' ' VAL . 3.7 ptt? -60.19 -46.07 90.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.796 -179.252 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.3 pt -63.89 -27.59 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.713 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -42.39 59.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.77 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -81.45 -23.06 37.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.445 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -58.67 -51.61 69.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.656 0.265 . . . . 0.0 111.479 -179.564 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 130' ' ' ILE . 1.0 OUTLIER 172.08 -58.68 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.348 179.838 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 129' ' ' ASP . 2.9 tt 45.39 30.36 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.035 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -89.61 170.91 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.58 -152.17 42.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.79 55.04 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.101 0.477 . . . . 0.0 110.801 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.42 46.03 6.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.554 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.671 ' CG ' HD13 ' A' ' 99' ' ' LEU . 4.7 m170 -112.38 126.33 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 0.0 110.558 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.9 mt -130.06 115.09 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.508 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -84.96 125.08 32.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.295 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.493 ' O ' HG12 ' A' ' 142' ' ' VAL . 3.4 p90 -77.03 -1.12 27.25 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -88.85 -39.79 13.59 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 120.856 0.36 . . . . 0.0 110.052 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.16 -38.95 50.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 11.2 t80 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.867 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.527 ' O ' HG22 ' A' ' 146' ' ' VAL . 13.5 p -68.58 -33.78 61.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.676 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -53.7 55.07 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -32.02 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.061 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.422 ' HG2' ' CD1' ' B' 1919 ' ' TYR . 1.9 mtm -57.24 -34.33 68.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.8 m -110.04 -30.31 2.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.395 -179.653 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.46 29.81 5.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.056 -179.637 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.849 0.357 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -98.87 36.8 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -80.29 -74.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -0.02 52.67 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.09 -56.23 7.44 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.989 0.424 . . . . 0.0 111.039 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.06 -51.15 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 16.7 m -53.71 -42.29 50.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.803 0.335 . . . . 0.0 111.563 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.64 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 17.0 p -57.11 -36.2 70.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.571 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.777 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.81 -25.34 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.118 179.429 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.0 mt -61.31 -56.86 15.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 110.154 179.235 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -61.75 -37.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.461 179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.644 HD11 ' CG ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -62.08 -34.75 65.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.16 0.505 . . . . 0.0 109.843 179.636 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.1 tt0 -60.82 -41.37 95.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.618 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -60.91 -33.76 73.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.207 178.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1915 ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -59.82 -44.84 93.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.609 179.458 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.0 m-85 -60.32 -35.66 76.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1917 ' ' ARG . . . . . 0.751 ' O ' HD23 ' B' 1921 ' ' LEU . 17.6 ttt85 -60.91 -43.81 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.21 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -70.94 -32.42 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.174 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' A' ' 145' ' ' MET . 17.7 t80 -57.78 -62.16 2.0 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.417 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.2 -30.65 66.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.741 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1921 ' ' LEU . . . . . 0.751 HD23 ' O ' ' B' 1917 ' ' ARG . 3.5 mm? -70.82 98.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -135.66 91.56 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 150.82 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.42 86.64 7.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -83.92 -41.85 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.53 128.56 49.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.685 0.279 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.9 tt0 -57.31 -57.22 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.555 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -63.62 -42.89 98.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.508 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -68.26 -35.18 77.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.069 HD23 HG23 ' A' ' 142' ' ' VAL . 13.6 tp -70.51 -48.01 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 82' ' ' GLU . 9.1 mt -62.09 -40.7 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.81 -44.68 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.18 -42.32 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.001 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.723 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.2 OUTLIER -70.67 -36.41 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.29 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -52.95 -37.59 61.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.477 HG21 ' OG ' ' B' 1908 ' ' SER . 21.7 t -58.84 -28.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.087 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' B' 1905 ' ' GLU . 68.9 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.449 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -131.45 162.52 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.436 HD13 ' CE1' ' A' ' 89' ' ' PHE . 4.0 tt -140.39 145.42 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m -85.28 125.54 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.979 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -67.06 -34.51 77.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.27 -53.11 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.5 mt-10 -78.12 -37.83 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.607 HD11 ' SD ' ' A' ' 109' ' ' MET . 38.5 tp -58.01 -30.1 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.201 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 110' ' ' THR . 0.2 OUTLIER -65.85 -51.7 56.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.023 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -65.63 -39.56 91.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.8 t -58.4 -62.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.567 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.607 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.88 -48.3 82.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.969 -179.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.1 p -61.59 -39.94 92.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.734 0.302 . . . . 0.0 111.439 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.99 -17.01 62.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.694 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.589 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.4 pp -115.43 -177.57 3.17 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.476 0.655 . . . . 0.0 112.155 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.405 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.52 -134.95 35.89 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.666 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.9 42.27 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 61.4 63.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.934 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.472 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -48.49 119.83 3.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.657 -179.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.7 p -55.56 145.25 23.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.761 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.454 ' OD1' HG21 ' A' ' 110' ' ' THR . 19.4 m-20 -69.44 -29.17 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.273 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -73.94 -47.91 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -59.81 -39.67 85.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.132 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.5 p -69.42 -32.52 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.418 ' HA ' HD11 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -67.06 -30.98 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.455 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.5 -52.07 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.446 ' CE ' ' CZ ' ' B' 1916 ' ' TYR . 3.7 ptt? -56.87 -39.66 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.609 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.574 HD12 ' HB1' ' A' ' 102' ' ' ALA . 18.1 pt -74.02 -33.02 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.719 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 -66.87 -41.04 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.9 -21.06 44.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.624 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.506 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -60.72 -51.54 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.242 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.979 HD11 ' HB2' ' A' ' 102' ' ' ALA . 30.8 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.868 0.366 . . . . 0.0 111.502 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.96 123.77 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.288 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.612 ' O ' HG12 ' A' ' 142' ' ' VAL . 2.2 p90 -77.66 -0.97 28.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.61 -42.35 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.894 0.378 . . . . 0.0 110.582 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.13 -38.42 56.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.806 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.15 -49.33 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.954 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 1.069 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -68.25 -34.25 65.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 0.0 110.358 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.27 -53.49 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.8 ptm -70.13 -31.69 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.434 ' SD ' HD22 ' A' ' 85' ' ' LEU . 47.6 ttm -58.48 -32.45 68.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 7.2 mt-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.722 0.296 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' B' 1909 ' ' ALA . 3.8 pt-20 -60.19 -41.11 92.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 20.4 t -53.45 -57.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.424 . . . . 0.0 111.269 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.477 ' OG ' HG21 ' A' ' 91' ' ' VAL . 3.2 m -57.58 -27.11 62.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.578 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -70.67 -28.4 64.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 49.0 mt -72.46 -51.53 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 110.5 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.472 HG13 ' N ' ' B' 1912 ' ' ILE . 12.1 p -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.723 HD11 ' CD2' ' A' ' 89' ' ' PHE . 6.5 tt -59.08 -31.99 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.2 tt0 -63.7 -36.64 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.497 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -62.61 -35.65 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.88 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.67 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.5 m-85 -58.97 -39.34 81.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.672 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -59.2 -44.36 92.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.578 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -72.4 -33.04 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.451 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 34.6 t80 -60.49 -54.59 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.623 0.249 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 86' ' ' ILE . 24.9 tt0 -65.53 -55.78 15.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.645 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -67.94 -34.4 76.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.34 -49.81 21.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 111.315 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.748 HD11 ' CE2' ' A' ' 89' ' ' PHE . 59.4 tp -59.26 -50.32 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.204 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 82' ' ' GLU . 36.6 mt -59.97 -39.51 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.09 -45.36 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.703 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.575 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.51 -40.66 92.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.748 ' CE2' HD11 ' A' ' 85' ' ' LEU . 2.0 m-85 -72.15 -35.59 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -35.82 62.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.818 HG21 ' OG ' ' B' 1908 ' ' SER . 24.6 t -64.5 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.611 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.742 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.432 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.895 -0.082 . . . . 0.0 112.895 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 137' ' ' ASN . 4.4 mt -122.91 151.38 41.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.472 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.53 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.7 tt -138.43 129.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.388 . . . . 0.0 111.375 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.31 139.33 52.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.043 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.85 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.2 -34.48 70.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.23 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.332 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.0 pt-20 -73.99 -44.31 55.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.554 HD11 ' SD ' ' A' ' 109' ' ' MET . 23.4 tp -55.22 -33.46 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.456 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.806 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -65.33 -51.61 59.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.011 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 104' ' ' GLU . 42.3 t -56.55 -63.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.717 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.554 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.72 -48.13 83.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.955 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.1 p -61.09 -44.32 97.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.307 . . . . 0.0 111.368 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -67.29 -17.62 64.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.618 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.496 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.4 pp -115.09 -176.22 2.86 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.468 0.651 . . . . 0.0 112.211 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.462 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 64.85 -133.88 37.52 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.531 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -98.33 41.84 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 61.72 60.88 1.52 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.642 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -46.76 124.79 6.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.913 -179.066 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.9 p -65.24 153.63 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.261 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.452 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.2 t70 -69.05 -30.28 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.009 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.34 -49.0 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.83 95.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.806 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.7 p -73.67 -32.25 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.005 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -72.36 -34.89 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -73.2 -38.46 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.706 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.414 ' CE ' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -75.09 -33.97 61.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.247 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.821 HD12 ' HB1' ' A' ' 102' ' ' ALA . 22.0 pt -74.6 -28.03 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.605 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.42 -29.05 59.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -82.38 -28.8 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.345 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -66.33 -51.71 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 111.431 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.215 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.85 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.8 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.846 0.355 . . . . 0.0 111.342 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.547 ' N ' HD23 ' A' ' 99' ' ' LEU . 2.1 t-20 -74.23 126.11 29.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.408 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.611 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.3 p90 -78.5 0.33 26.47 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -86.77 -40.59 14.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.124 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.79 -39.72 50.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.47 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.448 ' CZ ' ' CE ' ' A' ' 145' ' ' MET . 25.8 t80 -61.41 -48.61 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.092 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.886 ' O ' HG22 ' A' ' 146' ' ' VAL . 10.3 p -67.51 -36.51 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 110.142 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -62.38 -53.49 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -32.94 69.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.364 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.616 ' HE3' HD22 ' A' ' 85' ' ' LEU . 1.8 ttp -60.08 -52.96 63.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 142' ' ' VAL . 23.4 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.715 0.293 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.92 -54.85 37.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.478 HG13 ' N ' ' B' 1908 ' ' SER . 14.4 p -50.38 -46.87 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 111.507 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.818 ' OG ' HG21 ' A' ' 91' ' ' VAL . 2.7 m -59.51 -31.7 69.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.083 0.468 . . . . 0.0 110.171 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -74.5 -24.45 59.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.024 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.2 mm -67.39 -50.89 58.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.2 p -63.83 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.706 ' CG1' HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -60.71 -34.85 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.442 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.451 ' HG3' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -63.31 -39.3 94.18 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -61.41 -33.36 73.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.08 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.59 92.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.402 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.8 m-85 -57.1 -36.77 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.539 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -49.41 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.03 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.19 -35.03 77.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.422 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 38.7 t80 -62.85 -60.9 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.209 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.468 -179.372 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.845 0.355 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.649 ' HG3' HD11 ' A' ' 86' ' ' ILE . 1.4 tt0 -62.54 -57.77 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.117 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.97 -38.56 76.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.98 -50.03 17.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 111.538 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.914 HD23 HG23 ' A' ' 142' ' ' VAL . 28.0 tp -59.28 -48.48 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.143 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.649 HD11 ' HG3' ' A' ' 82' ' ' GLU . 42.1 mt -58.87 -40.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.694 0.283 . . . . 0.0 110.61 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -46.33 68.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.54 -52.22 66.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.757 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -60.59 -35.52 76.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.158 0.504 . . . . 0.0 110.35 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -41.82 62.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.753 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.51 -27.24 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.165 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.447 ' CE1' HG11 ' A' ' 108' ' ' VAL . 77.2 m-85 . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.456 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.644 -0.182 . . . . 0.0 112.644 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.0 mp -118.43 152.83 35.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.432 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 tt -132.23 141.83 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.09 135.86 35.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.22 -41.1 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.31 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.507 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.861 ' O ' HG23 ' A' ' 108' ' ' VAL . 49.1 mt-10 -77.11 -40.42 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 124' ' ' MET . 47.6 tp -56.63 -40.21 75.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.289 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.873 ' HA ' HG21 ' A' ' 121' ' ' VAL . 3.5 ttt180 -60.11 -51.27 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.74 -44.74 92.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.046 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 104' ' ' GLU . 40.3 t -59.25 -58.74 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.475 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.404 ' HG2' HD12 ' A' ' 105' ' ' LEU . 7.8 mmt -59.95 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.816 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 106' ' ' ARG . 80.8 p -67.33 -30.02 69.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.19 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -79.89 -13.63 59.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.708 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.447 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -120.18 -176.15 3.14 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.244 0.545 . . . . 0.0 111.825 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.47 -134.96 33.37 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.82 43.22 1.07 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt 62.15 61.64 1.3 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.619 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 117' ' ' THR . 0.6 OUTLIER -47.13 131.81 12.54 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.02 -179.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.488 ' N ' HD23 ' A' ' 116' ' ' LEU . 3.4 p -70.23 149.9 46.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.231 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.76 -32.67 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.74 -47.5 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.713 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.873 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.4 p -67.06 -32.72 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.03 -52.31 65.78 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.04 -35.17 77.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.728 ' HE3' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -64.86 -54.34 32.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.5 pt -67.22 -27.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.913 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.27 -39.37 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -22.83 25.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.592 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.521 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -59.59 -51.82 68.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.039 0.447 . . . . 0.0 110.158 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.793 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.9 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.655 0.264 . . . . 0.0 111.627 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.97 107.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.291 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.763 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.7 p90 -57.8 -19.89 31.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.896 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.25 95.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.382 . . . . 0.0 110.728 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -71.94 -41.73 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.38 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.478 ' CZ ' ' HG2' ' A' ' 124' ' ' MET . 24.5 t80 -65.82 -48.39 71.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.914 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -67.86 -36.89 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.396 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.71 68.62 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -31.41 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.451 ' SD ' HD22 ' A' ' 85' ' ' LEU . 50.6 ttm -57.84 -32.47 67.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 142' ' ' VAL . 6.1 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.354 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.766 0.317 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.2 -56.56 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.45 HG23 ' N ' ' B' 1908 ' ' SER . 12.8 m -46.32 -49.0 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 111.625 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.499 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 97.8 p -60.1 -32.22 70.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.252 0.549 . . . . 0.0 109.955 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.593 ' O ' HG22 ' B' 1912 ' ' ILE . . . -74.51 -23.73 58.88 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.955 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.83 -51.85 51.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.933 0.397 . . . . 0.0 110.122 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -61.71 -38.52 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.757 HD11 ' CG ' ' A' ' 89' ' ' PHE . 2.4 tt -61.98 -33.01 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.352 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.44 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.3 tt0 -63.18 -41.17 99.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.379 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -61.44 -32.95 72.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.08 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -60.5 -44.38 96.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.447 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.458 ' CZ ' ' HE2' ' A' ' 124' ' ' MET . 9.7 m-85 -58.78 -39.11 80.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.364 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -44.63 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.472 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -31.49 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.9 t80 -58.73 -61.57 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.681 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.212 -179.568 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -58.73 -57.22 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.331 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.32 -35.45 80.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.84 -49.91 22.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 111.324 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.791 HD23 HG23 ' A' ' 142' ' ' VAL . 37.6 tp -57.68 -49.78 75.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.466 HD12 ' O ' ' A' ' 82' ' ' GLU . 31.4 mt -58.48 -40.46 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 91' ' ' VAL . 7.2 tt0 -69.65 -43.18 73.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.719 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.513 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.54 -46.12 91.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.033 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 85' ' ' LEU . 2.4 m-85 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.65 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -53.22 -36.36 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.484 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.747 HG21 ' OG ' ' B' 1908 ' ' SER . 21.8 t -69.5 -26.85 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.753 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.452 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.601 -0.199 . . . . 0.0 112.601 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.405 HD23 ' OD1' ' A' ' 137' ' ' ASN . 29.5 mt -116.09 152.09 34.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 111.04 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.672 HD11 HD13 ' A' ' 105' ' ' LEU . 12.4 tt -138.15 120.32 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.1 t -64.38 130.77 45.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.037 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.45 -31.76 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.27 60.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.902 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.2 pt-20 -76.97 -39.91 48.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.672 HD13 HD11 ' A' ' 100' ' ' ILE . 23.7 tp -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.518 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.774 ' HA ' HG21 ' A' ' 121' ' ' VAL . 8.5 ttp180 -63.06 -51.56 66.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -64.12 -42.34 96.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 104' ' ' GLU . 38.7 t -54.67 -64.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 111.714 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.519 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.75 -48.0 83.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.16 -179.013 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 69.4 p -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -76.18 -19.83 58.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.551 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.803 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.3 pp -117.76 -178.06 3.39 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.637 0.732 . . . . 0.0 112.478 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.652 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 68.74 -129.75 24.88 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.599 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.02 39.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 59.91 60.06 2.27 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.428 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.5 OUTLIER -45.08 130.49 7.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.15 -178.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -75.93 155.53 35.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.405 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.467 ' HA ' HG12 ' A' ' 121' ' ' VAL . 33.8 m-20 -68.6 -30.83 69.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.71 -40.06 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.15 -52.93 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.774 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.0 p -65.21 -33.01 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.37 -52.61 64.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.81 -33.36 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.254 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.767 ' HE3' HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -65.58 -54.19 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.258 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.8 pt -69.85 -26.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -74.14 -38.91 63.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.398 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.94 -4.51 32.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 124' ' ' MET . . . -70.44 -51.55 28.53 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.742 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.857 0.361 . . . . 0.0 111.19 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 1.037 HD11 ' HB2' ' A' ' 102' ' ' ALA . 25.3 mt . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.819 0.342 . . . . 0.0 111.87 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.405 ' OD1' HD23 ' A' ' 99' ' ' LEU . 5.2 m-20 -84.76 129.43 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.049 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.606 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -79.77 1.88 25.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.94 -42.06 13.45 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -74.48 -36.18 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.979 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.463 ' CZ ' ' CG ' ' A' ' 124' ' ' MET . 16.6 t80 -66.88 -48.24 69.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.791 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -68.38 -33.7 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.006 0.431 . . . . 0.0 110.391 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -65.54 -53.29 44.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.413 ' HE3' ' CE1' ' B' 1919 ' ' TYR . 0.2 OUTLIER -68.58 -31.2 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.922 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 55.9 ttm -58.9 -46.02 88.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.1 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.951 0.405 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.33 -48.36 76.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t -55.73 -42.79 71.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.747 ' OG ' HG21 ' A' ' 91' ' ' VAL . 4.8 m -57.15 -34.25 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.803 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.77 -24.95 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.133 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.2 mt -64.15 -54.43 31.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.886 0.374 . . . . 0.0 110.358 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' 1912 ' ' ILE . 12.0 p -62.09 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.701 ' CG1' HD12 ' A' ' 85' ' ' LEU . 1.2 tt -62.22 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -37.58 86.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -34.88 79.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.126 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.89 97.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.482 ' CZ ' ' HE2' ' A' ' 124' ' ' MET . 9.3 m-85 -59.34 -36.76 76.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.315 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -62.25 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.218 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.07 -32.13 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.401 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.443 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.4 t80 -58.14 -60.32 3.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.308 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . 0.417 HD12 ' CD2' ' B' 1919 ' ' TYR . 8.9 mp . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.731 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.692 0.282 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.78 -53.92 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.946 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -62.33 -51.54 67.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.647 ' OE2' ' HB2' ' B' 1915 ' ' ALA . 0.5 OUTLIER -65.89 -43.33 88.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.711 0.291 . . . . 0.0 111.66 -179.096 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.035 HD23 HG23 ' A' ' 142' ' ' VAL . 34.1 tp -59.57 -49.73 76.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.31 -36.54 69.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.79 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -73.18 -47.36 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.24 -44.49 95.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.74 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.663 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 110.199 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.81 61.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.668 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.6 t -62.22 -29.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.76 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.252 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.771 -0.132 . . . . 0.0 112.771 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.0 mp -113.21 144.02 43.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.967 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.79 HD11 HD13 ' A' ' 105' ' ' LEU . 13.1 tt -131.8 136.85 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.187 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 t -77.39 137.57 38.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.882 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.99 -51.27 26.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.621 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.41 74.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.908 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.889 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.0 mt-10 -74.82 -41.22 60.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.382 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.79 HD13 HD11 ' A' ' 100' ' ' ILE . 29.5 tp -57.8 -38.38 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.409 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.779 ' HA ' HG21 ' A' ' 121' ' ' VAL . 6.2 ttm180 -58.51 -51.16 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.322 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -64.41 -42.43 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.466 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.1 t -56.43 -63.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.962 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.66 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.29 -42.78 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 106' ' ' ARG . 75.0 p -64.97 -36.24 83.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.516 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -75.71 -16.51 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.673 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.3 pp -115.41 -176.56 2.94 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.306 0.574 . . . . 0.0 112.007 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.69 -134.99 35.43 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.222 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 42.96 1.08 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt 61.71 61.46 1.43 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.583 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.4 OUTLIER -45.74 131.64 9.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.136 -178.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.9 p -70.84 150.81 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.167 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.433 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.5 t0 -68.67 -29.9 68.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.92 -48.99 66.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.207 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.83 -42.5 93.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.95 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.779 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.6 p -75.52 -32.23 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.87 -34.67 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.66 -36.08 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.568 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.612 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.46 -33.46 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.395 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.2 pt -73.59 -41.08 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -27.93 64.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.256 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.74 -14.41 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -64.34 -51.43 63.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.0 t0 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 0.0 110.626 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.882 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.8 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.782 0.325 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.46 131.18 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.311 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.497 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -86.49 10.37 15.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -39.11 13.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.036 0.446 . . . . 0.0 110.173 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -76.74 -42.19 42.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.435 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 54.8 t80 -62.18 -48.91 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.009 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 1.035 HG23 HD23 ' A' ' 85' ' ' LEU . 12.5 p -63.88 -35.98 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.65 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.09 -43.94 66.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.94 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.438 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.2 ptm -70.87 -31.9 68.72 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -27.22 49.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.553 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.234 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.872 0.367 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' B' 1909 ' ' ALA . 18.2 mt-10 -61.82 -53.01 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.653 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -45.08 -57.4 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.592 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.3 m -57.05 -29.17 63.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.604 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.98 -28.15 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.987 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 41.2 mt -65.78 -52.05 54.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.323 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.65 -38.82 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.749 ' CG1' HD12 ' A' ' 85' ' ' LEU . 3.6 tt -62.9 -32.0 54.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 110.463 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.4 OUTLIER -63.52 -39.98 95.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -36.05 78.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.034 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . 0.647 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . . . -59.39 -42.13 91.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 22.0 m-85 -60.11 -35.78 75.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.169 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -42.1 86.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.911 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -34.55 70.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.83 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 15.1 t80 -59.69 -54.19 49.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.321 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.743 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.626 0.251 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 86' ' ' ILE . 4.0 tt0 -56.78 -57.2 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.677 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.95 -40.57 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.642 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.74 -49.55 68.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.294 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.623 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.5 tm? -58.12 -51.93 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.518 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 82' ' ' GLU . 27.5 mt -56.15 -36.4 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 111.108 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -72.46 -44.81 61.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.703 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.649 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.8 -44.4 96.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -71.2 -35.71 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.082 0.468 . . . . 0.0 110.697 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -53.82 -35.99 62.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.598 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.742 HG21 ' OG ' ' B' 1908 ' ' SER . 23.7 t -66.54 -26.41 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.132 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.739 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.712 ' C ' HD12 ' A' ' 99' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.628 -0.189 . . . . 0.0 112.628 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.712 HD12 ' C ' ' A' ' 98' ' ' GLY . 7.0 mp -125.0 151.24 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.683 0.277 . . . . 0.0 110.647 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.503 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.7 tt -135.15 140.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.291 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.19 135.11 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.006 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.05 -51.59 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.7 mt-10 -75.21 -38.08 60.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.147 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.555 HD11 ' SD ' ' A' ' 109' ' ' MET . 25.3 tp -58.87 -31.26 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.825 ' HA ' HG21 ' A' ' 121' ' ' VAL . 31.0 ttt180 -67.16 -51.2 56.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -63.65 -40.2 96.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.435 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 104' ' ' GLU . 39.1 t -59.61 -63.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.703 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.555 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.04 -45.05 94.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.967 -178.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 106' ' ' ARG . 80.5 p -65.13 -38.02 89.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.209 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -73.75 -14.08 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.465 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.5 pp -118.88 -175.9 3.0 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.416 0.627 . . . . 0.0 112.184 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.465 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 64.87 -134.66 37.61 Favored Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.383 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.52 43.09 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.39 61.41 1.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.75 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -46.7 120.67 3.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.987 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.5 p -60.24 152.19 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.145 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HA ' HG12 ' A' ' 121' ' ' VAL . 7.5 p-10 -68.95 -30.75 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -67.42 -46.22 73.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.325 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.9 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.825 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.1 p -72.93 -32.5 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' A' ' 125' ' ' ILE . 0.7 OUTLIER -71.4 -29.58 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.57 -39.44 58.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.412 ' HE2' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -74.94 -34.49 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.8 pt -74.53 -29.36 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 111.39 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.2 ttt85 -71.02 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.15 -5.92 29.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.002 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.458 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -68.98 -52.77 25.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.757 -179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.739 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 1.006 HD11 ' HB2' ' A' ' 102' ' ' ALA . 31.0 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.899 0.381 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.436 HD21 HD11 ' A' ' 99' ' ' LEU . 3.1 m-80 -69.39 127.13 31.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.527 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.9 OUTLIER -80.25 2.21 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -88.4 -39.36 14.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -76.32 -38.83 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.7 -46.49 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.834 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 138' ' ' TYR . 12.3 p -68.84 -33.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -62.69 -53.91 47.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -31.73 68.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.408 ' HE1' ' HG ' ' A' ' 85' ' ' LEU . 14.3 ttp -57.9 -34.11 69.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 142' ' ' VAL . 32.6 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.211 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.8 0.334 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' B' 1907 ' ' VAL . 26.4 pt-20 -58.01 -45.04 87.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.053 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' B' 1906 ' ' GLU . 21.4 t -51.29 -52.71 18.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.957 0.408 . . . . 0.0 111.371 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.742 ' OG ' HG21 ' A' ' 91' ' ' VAL . 1.5 m -55.7 -31.57 62.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.417 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -73.7 -27.32 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.46 -51.36 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.6 p -62.26 -38.27 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.649 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -62.19 -34.61 64.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.054 0.454 . . . . 0.0 110.042 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.431 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -63.06 -40.01 96.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 178.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.74 -32.76 73.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.157 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.78 96.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.217 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 18.7 m-85 -57.75 -38.84 76.09 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -60.81 -33.85 73.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.104 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -80.79 -31.42 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.37 -54.57 41.99 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.521 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.643 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.747 0.308 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.509 ' O ' HD12 ' A' ' 86' ' ' ILE . 7.4 pt-20 -59.95 -49.85 76.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.549 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.54 -54.14 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.27 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -64.11 -45.19 89.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -58.94 -50.33 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.142 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 82' ' ' GLU . 18.6 mt -59.02 -39.93 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.0 -44.63 68.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.02 0.438 . . . . 0.0 110.722 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.59 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.54 -48.19 82.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.5 -35.67 81.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.421 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.0 -39.54 63.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.795 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 ' OG ' ' B' 1908 ' ' SER . 21.9 t -62.5 -27.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.033 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.244 -179.852 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.453 HD23 ' CA ' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -125.96 162.86 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.581 0.229 . . . . 0.0 110.741 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.501 ' CD1' HD13 ' A' ' 105' ' ' LEU . 17.9 tt -147.64 136.15 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.1 136.99 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.798 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.26 -37.35 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.23 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.68 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.405 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.876 ' O ' HG23 ' A' ' 108' ' ' VAL . 28.9 mt-10 -75.88 -37.12 59.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.555 HD11 ' SD ' ' A' ' 109' ' ' MET . 29.5 tp -59.01 -34.55 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.046 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.758 ' HA ' HG21 ' A' ' 121' ' ' VAL . 11.1 ttp180 -63.84 -51.54 64.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -63.16 -43.21 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 104' ' ' GLU . 41.8 t -56.58 -62.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.591 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.555 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.22 -45.4 93.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.039 -179.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 106' ' ' ARG . 79.8 p -64.36 -36.26 83.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 111.52 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -74.33 -17.36 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.481 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.457 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -114.68 -176.17 2.84 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.288 0.566 . . . . 0.0 111.944 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.18 -136.8 37.57 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.43 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -97.72 44.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm 61.6 62.06 1.37 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.624 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -47.23 125.59 8.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.836 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 p -70.72 153.27 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.532 ' HA ' HG12 ' A' ' 121' ' ' VAL . 4.9 p-10 -69.15 -28.55 66.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -42.14 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.1 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.4 p -74.71 -31.99 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.01 -34.63 75.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.0 -39.59 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.481 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -73.53 -33.68 64.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.622 0.249 . . . . 0.0 111.618 -179.321 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 121' ' ' VAL . 22.7 pt -74.5 -28.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.728 0.299 . . . . 0.0 111.531 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -73.18 -30.41 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -90.31 -26.69 19.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.8 72.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.453 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 102' ' ' ALA . 16.5 mt . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.813 0.339 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.453 ' CA ' HD23 ' A' ' 99' ' ' LEU . 3.0 t-20 -70.76 124.75 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -77.45 -1.6 31.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.125 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.11 -38.88 16.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.718 0.294 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.9 -40.72 46.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.06 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.816 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 138' ' ' TYR . 13.9 p -68.86 -33.45 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -54.14 49.73 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.455 ' HE3' ' C ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -71.6 -31.57 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.102 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ttm -57.36 -31.71 66.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.5 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.326 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.38 -31.03 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.714 ' O ' HG22 ' B' 1910 ' ' ILE . 23.5 t -65.01 -59.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.554 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 2.3 m -57.37 -27.95 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.961 0.41 . . . . 0.0 110.966 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -79.24 -22.96 44.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.623 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . 0.714 HG22 ' O ' ' B' 1907 ' ' VAL . 0.2 OUTLIER -75.21 -36.33 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.404 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.423 HG12 ' O ' ' B' 1908 ' ' SER . 13.5 p -72.27 -37.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.921 0.391 . . . . 0.0 110.107 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.59 HD12 ' CB ' ' A' ' 88' ' ' ALA . 1.0 OUTLIER -62.93 -34.29 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.836 179.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.468 ' HG3' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -64.09 -41.6 97.24 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.448 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -60.66 -33.21 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.955 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.47 97.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.7 m-85 -61.26 -35.73 78.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.253 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.55 -43.83 93.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.224 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -32.83 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.115 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -60.12 -54.46 45.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.44 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 CA--C 1.528 0.135 0 CA-C-O 120.474 0.178 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.05 -57.12 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 111.339 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.58 -43.34 80.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.576 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.22 -49.88 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.6 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -57.19 -50.52 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.62 -39.16 68.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.711 0.291 . . . . 0.0 111.139 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -45.71 61.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.494 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.39 -49.16 78.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.879 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.697 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.2 OUTLIER -66.12 -35.94 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -41.08 51.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.889 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG12 ' OE2' ' B' 1905 ' ' GLU . 21.7 t -64.37 -26.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.89 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' B' 1909 ' ' ALA . 66.1 m-85 . . . . . 0 C--N 1.333 -0.115 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.413 HD23 ' CA ' ' A' ' 137' ' ' ASN . 2.0 mt -109.3 150.82 27.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' A' ' 105' ' ' LEU . 14.2 tt -130.2 142.05 44.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.203 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.4 m -83.92 128.02 34.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -68.36 -31.69 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.431 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.58 56.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.214 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.89 ' O ' HG23 ' A' ' 108' ' ' VAL . 2.2 mt-10 -78.48 -35.2 46.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD11 ' SD ' ' A' ' 109' ' ' MET . 24.6 tp -56.09 -35.57 67.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.491 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.786 ' HA ' HG21 ' A' ' 121' ' ' VAL . 10.4 ttt180 -63.93 -51.4 64.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.421 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -64.12 -41.12 97.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.7 t -58.7 -62.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.75 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.486 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.51 -48.1 83.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.066 -178.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 62.1 p -61.63 -37.56 84.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 0.0 111.386 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -73.03 -17.52 61.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.468 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.2 pp -115.28 -176.53 2.93 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.463 0.649 . . . . 0.0 112.325 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.5 -134.81 38.77 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.542 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -98.2 43.19 1.07 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 61.44 62.44 1.34 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -46.5 116.58 1.33 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.857 -179.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.6 p -55.73 150.0 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.619 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' HA ' HG12 ' A' ' 121' ' ' VAL . 2.4 p30 -69.51 -30.54 68.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.054 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -49.15 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -48.88 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.786 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.4 p -64.21 -31.53 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.418 ' HA ' HD11 ' A' ' 125' ' ' ILE . 22.4 t70 -68.25 -32.18 72.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.552 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -52.37 9.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.606 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -58.34 -35.65 72.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.151 -179.18 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 121' ' ' VAL . 17.3 pt -74.15 -42.43 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 111.739 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -28.46 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.311 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -25.22 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.451 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.17 -50.78 71.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.656 0.265 . . . . 0.0 111.64 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.657 ' HB2' HG23 ' A' ' 136' ' ' ILE . 1.1 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.644 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.3 mt . . . . . 0 N--CA 1.459 0.019 0 CA-C-O 120.832 0.349 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.413 ' CA ' HD23 ' A' ' 99' ' ' LEU . 6.1 t-20 -68.75 132.31 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.555 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.425 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.6 p90 -85.43 9.11 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.57 -40.76 12.41 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 120.962 0.411 . . . . 0.0 110.336 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.81 -39.34 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.536 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 46.2 t80 -65.72 -46.24 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.771 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 146' ' ' VAL . 8.7 p -65.57 -31.27 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.403 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -53.64 46.28 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.422 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 5.9 ptm -69.26 -32.01 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.424 ' HG2' ' CG ' ' B' 1919 ' ' TYR . 1.9 mtm -59.55 -41.96 91.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 142' ' ' VAL . 12.0 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.261 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . 0.425 ' OE2' HG12 ' A' ' 91' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.25 -49.76 73.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.456 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.8 t -46.01 -55.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.552 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -57.21 -31.08 65.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.463 179.293 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.526 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.18 -24.63 60.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.084 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.33 -51.55 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -59.5 -37.06 68.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.697 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.4 tt -62.26 -33.93 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.012 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -62.53 -40.88 98.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.778 178.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -60.03 -34.31 73.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.048 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -58.53 -34.4 70.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -41.78 93.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.886 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.67 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.128 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.424 ' CG ' ' HG2' ' A' ' 145' ' ' MET . 8.5 t80 -58.24 -62.64 1.68 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.261 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 179.581 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.675 0.274 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 86' ' ' ILE . 8.9 mt-10 -53.66 -57.55 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -59.53 -44.55 93.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.94 -50.26 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.918 0.39 . . . . 0.0 111.477 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.108 HD23 HG23 ' A' ' 142' ' ' VAL . 29.3 tp -58.05 -49.44 76.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 82' ' ' GLU . 28.4 mt -60.41 -39.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.706 0.288 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -51.29 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.36 -46.17 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.073 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.82 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.1 OUTLIER -63.46 -36.21 83.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.151 0.501 . . . . 0.0 110.361 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -54.46 -39.14 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.604 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.629 HG21 ' OG ' ' B' 1908 ' ' SER . 22.0 t -60.75 -26.2 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.984 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.333 -0.145 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.589 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 CA--C 1.518 0.269 0 CA-C-O 120.455 -0.081 . . . . 0.0 113.093 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.615 HD23 ' N ' ' A' ' 137' ' ' ASN . 36.3 mt -115.38 143.82 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.632 HD11 HD13 ' A' ' 105' ' ' LEU . 18.2 tt -136.06 141.46 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 111.338 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -84.39 140.24 31.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.24 -42.02 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.92 79.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.5 mt-10 -73.97 -41.38 62.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.635 HD11 ' SD ' ' A' ' 109' ' ' MET . 27.3 tp -58.19 -34.69 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.811 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.82 -51.49 66.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.626 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -63.95 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.554 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 104' ' ' GLU . 25.3 t -61.51 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.959 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.635 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.1 -47.96 83.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.219 -178.603 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 72.1 p -60.38 -40.11 89.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.5 -16.89 62.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.617 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.485 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -115.68 -177.91 3.26 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.579 0.704 . . . . 0.0 112.42 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.0 -131.59 33.61 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.391 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 40.33 1.24 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt 61.73 63.24 1.17 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.555 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.6 OUTLIER -44.85 122.39 3.21 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.958 -178.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -55.36 145.26 22.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.716 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.29 -29.67 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.172 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.48 -47.91 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.317 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.88 -42.88 94.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.215 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.811 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.5 p -65.28 -32.84 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.171 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.414 ' HA ' HD11 ' A' ' 125' ' ' ILE . 73.2 m-20 -65.12 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.278 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -50.91 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.497 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.447 ' HE2' HG23 ' A' ' 121' ' ' VAL . 3.9 ptt? -60.39 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.652 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 121' ' ' VAL . 17.0 pt -62.01 -27.63 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.702 0.286 . . . . 0.0 111.565 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -74.92 -39.99 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.448 ' HG2' ' HE1' ' A' ' 144' ' ' MET . 4.0 tp10 -89.49 -4.91 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.04 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.44 ' CB ' HG21 ' A' ' 136' ' ' ILE . . . -70.89 -50.69 32.3 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.739 0.304 . . . . 0.0 111.436 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.754 HD11 ' HB2' ' A' ' 102' ' ' ALA . 17.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.711 0.291 . . . . 0.0 111.348 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.615 ' N ' HD23 ' A' ' 99' ' ' LEU . 10.6 t30 -65.42 130.73 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.499 ' O ' HG12 ' A' ' 142' ' ' VAL . 5.6 p90 -84.79 9.31 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.11 -38.99 13.93 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.966 0.413 . . . . 0.0 110.228 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -77.04 -38.33 53.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 29.7 t80 -66.7 -44.99 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.109 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 1.108 HG23 HD23 ' A' ' 85' ' ' LEU . 13.6 p -68.14 -36.77 76.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -50.46 71.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.761 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.448 ' HE1' ' HG2' ' A' ' 127' ' ' GLU . 3.4 ppp? -69.43 -31.49 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.453 ' SD ' HD22 ' A' ' 85' ' ' LEU . 56.0 ttm -57.87 -37.73 74.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.17 179.711 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.821 0.343 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' B' 1909 ' ' ALA . 1.4 mp0 -64.28 -55.66 19.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 22.1 t -46.19 -54.15 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 111.558 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.636 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.2 m -57.1 -30.64 64.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -75.51 -20.26 58.84 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.129 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.95 -51.98 27.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.44 HG13 ' N ' ' B' 1912 ' ' ILE . 8.6 p -61.41 -44.73 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.785 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.82 HD11 ' CD2' ' A' ' 89' ' ' PHE . 5.0 tt -59.49 -30.83 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.478 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.7 tt0 -63.62 -40.92 98.12 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -61.21 -34.21 74.73 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.033 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.44 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.37 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 22.7 m-85 -61.63 -38.16 86.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.143 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -39.57 80.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.99 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -35.36 62.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.814 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.433 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 14.3 t80 -59.19 -61.95 2.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.358 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.194 179.54 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.528 0.204 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.2 mt-10 -67.29 -57.88 5.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.788 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.83 -30.61 67.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.877 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -75.51 -39.84 57.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.781 HD11 ' CE2' ' A' ' 89' ' ' PHE . 41.5 tp -72.13 -47.61 49.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.314 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 82' ' ' GLU . 26.1 mt -59.19 -40.82 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.155 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -47.46 66.23 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.029 0.442 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -59.59 -42.41 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.781 ' CE2' HD11 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -69.55 -35.83 75.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.481 . . . . 0.0 110.031 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -50.33 -38.73 43.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.593 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.92 -30.29 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.667 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 . . . . . 0 C--N 1.333 -0.12 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.436 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 CA--C 1.519 0.301 0 CA-C-O 120.484 -0.065 . . . . 0.0 113.007 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 137' ' ' ASN . 20.1 mt -107.15 132.75 52.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.74 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 136' ' ' ILE . 3.9 tt -123.2 136.6 59.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.175 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.42 141.7 29.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.84 -38.19 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.487 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.44 -53.15 60.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.3 pt-20 -74.44 -42.85 58.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 125' ' ' ILE . 29.3 tp -53.0 -39.91 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.692 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.835 ' HA ' HG21 ' A' ' 121' ' ' VAL . 5.1 ttt-85 -61.6 -51.54 68.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -63.48 -48.13 78.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.489 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.3 t -52.36 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB3' HD12 ' A' ' 116' ' ' LEU . 20.6 mmt -60.0 -48.28 82.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 68.9 p -62.27 -38.89 91.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.594 0.235 . . . . 0.0 111.559 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -75.5 -14.22 60.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.5 pp -115.07 -177.03 3.03 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.319 0.581 . . . . 0.0 112.055 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.466 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 63.91 -132.62 40.24 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.203 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -99.5 40.97 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 61.87 63.73 1.09 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.521 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 109' ' ' MET . 0.6 OUTLIER -45.81 122.73 3.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.123 0.487 . . . . 0.0 111.911 -178.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -55.49 147.15 18.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.741 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.42 -30.19 68.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.66 -47.46 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.299 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.89 -42.68 94.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.122 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.835 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.1 p -66.99 -32.45 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.424 ' HA ' HD11 ' A' ' 125' ' ' ILE . 16.5 t0 -66.07 -31.28 72.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.333 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.19 -48.06 31.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.363 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 4.1 ptt? -61.68 -44.79 96.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.795 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.518 HG22 HD23 ' A' ' 105' ' ' LEU . 17.2 pt -66.79 -40.25 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.22 64.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.351 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -95.17 -4.71 45.53 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.487 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -78.22 -51.23 10.51 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.64 0.257 . . . . 0.0 111.551 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.733 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 102' ' ' ALA . 18.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.68 0.276 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.573 ' N ' HD23 ' A' ' 99' ' ' LEU . 1.8 m-20 -69.57 120.21 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.299 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.702 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -71.12 -7.87 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.58 -43.41 80.66 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.904 0.383 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.95 -36.17 59.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 49.3 t80 -66.59 -49.48 66.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.002 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.752 HG23 HD23 ' A' ' 85' ' ' LEU . 10.7 p -68.39 -36.21 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -64.88 -53.49 45.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.6 ' HE3' ' HA ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -68.8 -31.81 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.23 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.6 ' HA ' ' HE3' ' A' ' 144' ' ' MET . 34.0 ttm -61.26 -45.87 92.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.2 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.717 0.294 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.4 -52.72 58.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.647 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.444 HG23 ' N ' ' B' 1908 ' ' SER . 15.4 m -50.01 -48.03 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.788 0.328 . . . . 0.0 111.536 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.608 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 24.1 p -57.84 -32.55 67.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.155 0.502 . . . . 0.0 110.019 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.551 ' O ' HG22 ' B' 1912 ' ' ILE . . . -75.8 -27.33 57.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.934 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.8 mt -61.04 -51.34 74.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 110.204 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -64.03 -39.19 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.694 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.2 tt -61.05 -32.84 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.341 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.445 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -65.11 -40.83 95.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.496 178.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.8 72.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.024 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.61 93.93 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.341 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 16.6 m-85 -58.38 -34.27 70.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.482 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.223 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -73.1 -31.37 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.351 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 9.9 t80 -56.96 -61.8 2.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.751 0.31 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.622 ' HG3' HD11 ' A' ' 86' ' ' ILE . 4.4 tt0 -58.74 -57.23 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.642 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.95 -44.51 74.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.6 -44.2 57.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.756 0.312 . . . . 0.0 111.32 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.075 HD23 HG23 ' A' ' 142' ' ' VAL . 15.5 tp -61.29 -46.19 91.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.009 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.622 HD11 ' HG3' ' A' ' 82' ' ' GLU . 38.4 mt -61.98 -40.26 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.28 -41.12 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.786 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.36 -49.54 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.955 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.744 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -65.22 -35.8 82.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.503 179.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -38.21 56.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.597 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.52 -26.25 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.921 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 C--N 1.334 -0.109 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.393 -179.772 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' HA3' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.4 mp -115.42 152.24 33.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.529 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.8 tt -140.2 125.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.942 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 139.14 55.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.193 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.844 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.33 -36.7 71.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.4 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.28 -53.26 58.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.8 pt-20 -76.47 -38.78 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.572 HD11 ' SD ' ' A' ' 109' ' ' MET . 25.7 tp -55.24 -38.46 68.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.324 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.797 ' HA ' HG21 ' A' ' 121' ' ' VAL . 12.6 ttt-85 -60.65 -51.65 68.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.186 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' CD2' ' ND2' ' A' ' 111' ' ' ASN . 11.4 t60 -63.7 -45.11 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.57 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.3 t -55.28 -63.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.572 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.13 -43.96 95.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.687 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 106' ' ' ARG . 77.2 p -63.95 -53.97 41.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.608 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.447 ' ND2' ' CD2' ' A' ' 107' ' ' HIS . 9.2 m-80 -60.57 -17.93 49.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.689 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 113' ' ' GLY . 3.9 pp -110.73 -175.6 2.76 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.604 0.716 . . . . 0.0 112.351 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.658 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 62.24 -136.81 45.41 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.582 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -96.81 43.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? 61.45 62.74 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.69 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.576 HD21 ' OE2' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -46.8 128.59 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.827 -179.012 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -63.61 146.57 53.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.586 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.36 -29.18 66.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -70.88 -47.66 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.576 ' OE2' HD21 ' A' ' 116' ' ' LEU . 16.3 tt0 -59.83 -41.03 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.797 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.7 p -70.54 -32.63 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.107 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.43 ' HA ' HD11 ' A' ' 125' ' ' ILE . 1.2 m-20 -67.82 -28.8 67.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.35 -47.46 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 111.419 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.537 ' CE ' HG23 ' A' ' 121' ' ' VAL . 4.1 ptt? -61.14 -45.26 95.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.709 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 122' ' ' ASP . 15.7 pt -66.53 -39.84 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.978 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.361 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -92.4 -4.88 53.09 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -78.67 -52.7 8.04 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.704 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.026 0.441 . . . . 0.0 110.547 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.844 HD11 ' HB2' ' A' ' 102' ' ' ALA . 25.5 mt . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.843 0.354 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -73.71 128.68 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.58 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.8 p90 -80.53 1.96 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -87.21 -44.62 11.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.923 0.392 . . . . 0.0 110.491 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.29 -35.59 58.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.612 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 60.5 t80 -64.15 -49.29 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.814 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 1.075 HG23 HD23 ' A' ' 85' ' ' LEU . 14.7 p -68.28 -32.91 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 0.0 110.388 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -67.32 -53.28 31.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.98 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.35 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.458 ' CE ' ' CE2' ' A' ' 141' ' ' PHE . 15.5 ttm -63.15 -34.13 76.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 142' ' ' VAL . 13.2 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.652 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.845 0.355 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -53.74 -58.95 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.91 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.433 HG23 ' N ' ' B' 1908 ' ' SER . 10.9 m -44.61 -50.04 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.46 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 56.8 p -59.51 -34.78 73.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.204 0.525 . . . . 0.0 109.789 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.597 ' O ' HG22 ' B' 1912 ' ' ILE . . . -72.24 -26.7 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.803 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.4 mt -62.85 -51.88 66.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.456 HG12 ' O ' ' B' 1908 ' ' SER . 11.5 p -62.18 -36.01 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.636 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.744 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.0 tt -65.16 -33.39 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.0 OUTLIER -62.92 -36.3 82.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.487 178.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.33 80.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.801 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.79 94.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.723 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.7 m-85 -59.82 -37.86 80.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -59.39 -45.68 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.572 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -31.63 67.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.456 ' CG ' ' HG3' ' A' ' 145' ' ' MET . 15.1 t80 -58.5 -51.64 69.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.535 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.929 -179.847 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.801 0.334 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.462 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.3 mt-10 -54.86 -53.6 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.889 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.71 -46.43 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.842 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.5 -50.42 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.708 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.577 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -54.57 -51.22 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.52 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 82' ' ' GLU . 53.6 mt -56.96 -40.73 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.55 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.24 -47.84 84.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -64.87 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.71 -40.3 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.698 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.555 HG21 ' OG ' ' B' 1908 ' ' SER . 22.2 t -63.25 -27.7 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.015 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.038 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.452 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.39 162.87 32.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.695 0.283 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.402 ' CD1' HD13 ' A' ' 105' ' ' LEU . 13.2 tt -144.92 146.94 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 t -88.28 134.88 33.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.879 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.28 -30.32 66.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.514 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.63 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.356 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.868 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.0 pt-20 -78.77 -40.03 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 100' ' ' ILE . 34.3 tp -53.32 -40.29 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.537 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.785 ' HA ' HG21 ' A' ' 121' ' ' VAL . 1.1 ttt180 -62.17 -51.46 67.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.121 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -64.26 -44.82 90.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 104' ' ' GLU . 46.6 t -56.73 -60.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 0.0 111.767 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.415 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 4.3 mmt -60.91 -48.26 82.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.297 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 106' ' ' ARG . 67.8 p -65.03 -45.26 86.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 111.654 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.03 -18.31 65.19 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.779 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.0 OUTLIER -117.74 178.42 4.41 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 121.626 0.727 . . . . 0.0 112.593 -179.35 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.681 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 72.16 -130.25 16.08 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -100.39 38.65 1.46 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 62.14 62.83 1.15 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.409 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.43 HD21 ' OE1' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -46.19 121.86 3.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.937 -179.049 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -54.06 144.25 19.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.798 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.1 -47.79 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.201 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.43 ' OE1' HD21 ' A' ' 116' ' ' LEU . 8.2 tt0 -59.73 -39.92 86.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.004 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.785 HG21 ' HA ' ' A' ' 106' ' ' ARG . 9.2 p -71.61 -32.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.441 ' HA ' HD11 ' A' ' 125' ' ' ILE . 15.3 m-20 -65.73 -33.64 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.327 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.69 -51.98 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.465 ' CE ' HG23 ' A' ' 121' ' ' VAL . 4.0 ptt? -55.08 -39.11 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.688 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.0 pt -74.02 -32.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.899 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.35 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -28.39 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 141' ' ' PHE . . . -58.7 -51.56 69.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.551 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.458 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.879 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.8 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.73 0.3 . . . . 0.0 111.7 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.03 126.6 30.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.578 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -80.33 2.55 24.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 -39.35 15.42 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.925 0.393 . . . . 0.0 110.339 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.58 -41.19 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.268 0.556 . . . . 0.0 109.54 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.458 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . 32.8 t80 -61.09 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.124 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 138' ' ' TYR . 14.4 p -68.25 -34.23 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -62.11 -54.91 34.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.369 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 2.2 ptm -66.67 -31.96 72.97 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.214 0.321 . . . . 0.0 111.1 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.9 ttm -58.2 -31.91 67.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.953 0.406 . . . . 0.0 110.727 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.6 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.843 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.859 0.361 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.6 -50.67 69.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.6 m -53.92 -41.39 48.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.798 0.333 . . . . 0.0 111.433 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.555 ' OG ' HG21 ' A' ' 91' ' ' VAL . 16.0 m -57.95 -35.31 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.017 0.437 . . . . 0.0 110.308 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.779 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.26 -24.05 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.916 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.92 -56.91 14.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.245 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.467 HG13 ' N ' ' B' 1912 ' ' ILE . 11.8 p -60.7 -45.0 98.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.638 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.594 HD11 ' CG ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -57.39 -32.05 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.235 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.425 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.6 tt0 -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.734 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -61.76 -33.41 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.313 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.68 99.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.57 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.1 m-85 -59.84 -39.32 84.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.493 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -57.59 -43.8 84.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -72.17 -32.78 67.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.263 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 12.7 t80 -60.4 -56.64 18.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.279 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.569 ' OE1' HG21 ' A' ' 146' ' ' VAL . 4.2 tt0 -59.61 -57.24 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.09 -43.89 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.391 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.8 -49.91 59.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.281 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -56.09 -50.68 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 82' ' ' GLU . 17.4 mt -58.02 -34.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.5 tt0 -73.19 -45.8 54.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.443 . . . . 0.0 110.594 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.088 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.663 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.7 OUTLIER -68.44 -35.88 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 0.0 110.65 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.65 -36.94 57.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.568 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.765 HG21 ' OG ' ' B' 1908 ' ' SER . 24.0 t -66.35 -27.79 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.029 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.659 -0.177 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.1 mt -119.6 148.09 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.469 HD11 HD13 ' A' ' 105' ' ' LEU . 16.7 tt -132.25 132.92 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -74.1 133.16 42.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.957 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.14 -34.6 71.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.351 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.93 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.429 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.9 pt-20 -77.96 -38.73 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.504 HD11 ' SD ' ' A' ' 109' ' ' MET . 23.4 tp -55.1 -39.37 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.778 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -61.03 -51.35 69.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.306 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.17 -42.67 99.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.593 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 104' ' ' GLU . 26.2 t -56.55 -63.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.975 0.417 . . . . 0.0 111.877 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.58 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.54 -48.27 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.148 -178.687 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 72.2 p -63.12 -30.89 71.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 111.523 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.78 -18.87 55.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.551 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.4 pp -119.55 -177.96 3.5 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.607 0.718 . . . . 0.0 112.49 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.636 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 69.95 -129.33 21.1 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.38 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.58 38.1 1.58 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt 61.7 62.44 1.29 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.376 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.8 OUTLIER -45.0 115.57 0.92 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.115 -178.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.4 p -56.31 151.26 13.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.528 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.421 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -69.34 -31.16 69.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.124 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.77 -49.4 70.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.73 -49.83 74.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.778 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.5 p -64.33 -31.9 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.458 ' HA ' HD11 ' A' ' 125' ' ' ILE . 31.4 t70 -69.36 -31.18 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.555 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.72 -52.37 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 111.709 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -55.66 -37.43 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.958 -179.386 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 121' ' ' VAL . 13.9 pt -74.27 -44.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -42.41 99.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.191 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -19.42 54.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.798 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.454 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -62.13 -52.0 65.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.612 0.244 . . . . 0.0 111.608 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 120.782 0.325 . . . . 0.0 110.505 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.957 HD11 ' HB2' ' A' ' 102' ' ' ALA . 23.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.807 0.337 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -74.99 128.1 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.506 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.5 OUTLIER -79.74 0.89 28.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.691 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.08 -42.1 12.61 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 120.992 0.425 . . . . 0.0 110.31 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.37 -36.96 57.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.535 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 51.0 t80 -64.67 -48.08 76.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.773 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.752 ' O ' HG22 ' A' ' 146' ' ' VAL . 10.0 p -68.65 -33.49 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -74.05 -39.82 63.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.763 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.518 ' HE2' ' CZ ' ' B' 1919 ' ' TYR . 0.5 OUTLIER -71.06 -31.71 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.248 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.438 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -79.06 -31.56 44.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.618 0.247 . . . . 0.0 111.101 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.8 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.78 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.885 0.374 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.98 -57.03 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.41 ' HA ' HD12 ' B' 1910 ' ' ILE . 11.2 p -53.78 -40.21 42.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.369 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.765 ' OG ' HG21 ' A' ' 91' ' ' VAL . 3.0 m -58.36 -36.36 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.8 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -74.33 -26.73 60.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . 0.41 HD12 ' HA ' ' B' 1907 ' ' VAL . 43.9 mt -62.52 -55.16 25.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.2 p -59.98 -39.11 79.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.663 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -60.91 -32.74 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.187 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -63.04 -42.98 99.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.55 178.699 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -32.89 70.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.365 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.54 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.507 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.4 m-85 -57.77 -38.33 75.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -58.0 -46.86 84.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.562 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.37 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 144' ' ' MET . 2.3 t80 -61.44 -58.36 8.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.497 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.799 0.333 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.662 ' HG3' HG11 ' A' ' 146' ' ' VAL . 3.0 mt-10 -60.79 -57.56 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.666 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -61.56 -35.63 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.665 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.49 -49.36 19.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 0.0 111.358 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.998 HD23 HG23 ' A' ' 142' ' ' VAL . 22.7 tp -60.36 -41.64 94.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.3 mt -66.96 -37.21 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.604 0.24 . . . . 0.0 110.987 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.86 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.22 -53.09 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.726 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.778 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.8 OUTLIER -62.81 -35.18 79.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.184 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -38.29 37.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.11 -22.01 22.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.635 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.232 0.141 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.193 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.687 -0.165 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.1 mp -122.24 147.01 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.407 ' CD1' HD13 ' A' ' 105' ' ' LEU . 10.3 tt -124.51 150.0 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.9 t -88.44 134.12 33.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.989 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -68.72 -39.91 80.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.291 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.62 72.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.39 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 108' ' ' VAL . 49.1 mt-10 -76.4 -38.1 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.437 HD21 ' HE1' ' A' ' 124' ' ' MET . 33.2 tp -59.43 -29.29 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.706 ' HA ' HG11 ' A' ' 121' ' ' VAL . 8.0 ttt-85 -67.93 -51.61 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.264 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.14 -45.78 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.46 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.9 t -55.95 -61.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.498 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.5 mmt -61.53 -48.36 81.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.229 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 106' ' ' ARG . 69.2 p -64.07 -34.2 77.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.706 0.288 . . . . 0.0 111.357 -179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -76.06 -16.82 59.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.611 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -115.79 -176.75 3.0 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.262 0.553 . . . . 0.0 111.961 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.402 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.39 -133.23 35.83 Favored Glycine 0 C--N 1.335 0.51 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.28 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -99.36 41.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm 61.89 63.72 1.09 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.618 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.8 HD13 HG22 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -46.53 116.83 1.4 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.042 0.448 . . . . 0.0 111.987 -178.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -59.4 137.68 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.87 -27.19 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.342 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.01 -48.03 69.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.14 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.34 -34.23 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.244 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.8 HG22 HD13 ' A' ' 116' ' ' LEU . 41.1 t -79.31 -32.52 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.04 -30.74 65.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.18 -40.55 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.437 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -70.9 -33.99 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.69 -179.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 121' ' ' VAL . 22.8 pt -74.34 -37.27 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -28.46 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.22 -21.72 20.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.68 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -57.89 -51.28 70.26 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' A' ' 102' ' ' ALA . 24.6 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.95 128.6 37.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.542 ' O ' HG12 ' A' ' 142' ' ' VAL . 8.2 p90 -85.05 7.79 20.2 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -89.44 -39.22 13.52 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.024 0.44 . . . . 0.0 110.16 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.48 -37.75 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.466 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 42.2 t80 -65.51 -48.09 73.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.766 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.998 HG23 HD23 ' A' ' 85' ' ' LEU . 13.3 p -65.99 -34.25 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.556 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -44.68 59.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.775 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -31.67 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -28.1 44.63 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.41 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.766 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.664 0.268 . . . . 0.0 111.519 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.742 0.306 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.97 -46.91 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -51.08 -51.41 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 111.253 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.554 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER -58.44 -29.62 66.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -74.08 -24.08 59.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.019 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.45 -52.01 32.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.549 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.57 -42.04 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.804 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.778 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.5 tt -60.96 -32.35 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.152 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.429 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.2 tt0 -62.91 -37.86 88.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.596 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -62.98 -35.28 79.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.973 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.93 97.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.533 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.9 m-85 -59.9 -40.58 89.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -60.61 -43.41 97.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -69.73 -32.69 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.252 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.4 -60.74 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.643 0.258 . . . . 0.0 111.376 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -57.31 4.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -70.35 -31.01 68.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.94 -46.33 36.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 111.49 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.982 HD23 HG23 ' A' ' 142' ' ' VAL . 47.1 tp -64.97 -48.87 72.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.323 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.7 mt -59.61 -40.15 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.626 0.25 . . . . 0.0 111.023 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -70.9 -44.23 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 110.742 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.25 -43.69 95.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.622 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -52.61 -37.62 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.573 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.656 HG21 ' OG ' ' B' 1908 ' ' SER . 24.2 t -63.3 -26.46 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.004 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.652 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.834 -0.106 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.7 mp -109.79 150.3 28.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.313 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.762 HD11 HD13 ' A' ' 105' ' ' LEU . 16.0 tt -141.47 133.67 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 t -80.69 133.3 35.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.888 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.89 -32.89 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.24 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -53.03 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.857 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.7 pt-20 -77.55 -41.86 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.788 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 100' ' ' ILE . 37.2 tp -53.13 -29.74 32.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.48 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.759 ' HA ' HG21 ' A' ' 121' ' ' VAL . 1.8 ttt-85 -68.18 -51.78 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -65.73 -38.23 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 104' ' ' GLU . 36.5 t -58.68 -64.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.545 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.4 -48.23 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.114 -178.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 60.6 p -60.95 -43.56 98.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 111.477 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.23 -18.19 64.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.637 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.487 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -113.5 -177.52 3.15 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.545 0.688 . . . . 0.0 112.174 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.9 -136.03 35.39 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.364 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -98.06 43.18 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 61.68 63.66 1.13 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.5 OUTLIER -45.76 118.08 1.7 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.009 0.433 . . . . 0.0 111.901 -179.019 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -57.1 149.56 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.579 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.489 ' HA ' HG12 ' A' ' 121' ' ' VAL . 6.9 m-20 -69.52 -26.46 64.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.365 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.91 -39.63 69.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.718 0.294 . . . . 0.0 111.351 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -72.38 -40.84 66.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.362 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.759 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.8 p -67.23 -32.44 57.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.16 -42.67 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -44.31 96.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -68.44 -46.34 70.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' VAL . 20.4 pt -63.76 -35.23 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -35.05 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.048 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.58 -4.68 59.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.089 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -79.31 -51.5 9.35 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.746 0.308 . . . . 0.0 111.007 179.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.888 HD11 ' HB2' ' A' ' 102' ' ' ALA . 14.9 mt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.839 0.352 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.28 129.68 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.984 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.522 ' O ' HG12 ' A' ' 142' ' ' VAL . 2.2 p90 -83.86 7.39 18.22 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -89.29 -42.67 11.46 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.087 0.47 . . . . 0.0 110.447 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -76.96 -36.77 56.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.416 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.878 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.982 HG23 HD23 ' A' ' 85' ' ' LEU . 14.5 p -64.59 -33.77 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -72.67 -44.21 62.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.751 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -32.02 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.437 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -76.46 -31.01 57.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.651 0.262 . . . . 0.0 111.578 -179.309 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 142' ' ' VAL . 14.6 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.673 0.273 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -31.28 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.709 ' O ' HG22 ' B' 1910 ' ' ILE . 42.8 t -61.19 -63.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.999 0.428 . . . . 0.0 110.253 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.662 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -57.14 -24.51 54.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.003 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -81.75 -23.2 36.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.554 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . 0.761 HD13 ' O ' ' B' 1910 ' ' ILE . 0.2 OUTLIER -74.41 -36.78 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.459 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.405 HG13 ' N ' ' B' 1912 ' ' ILE . 9.3 p -73.52 -41.59 56.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.638 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.1 tt -60.68 -30.94 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.449 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 2.5 tt0 -66.61 -43.34 85.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -32.72 71.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.025 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.25 99.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.52 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.3 m-85 -60.15 -34.92 74.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.078 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -39.95 93.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.949 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -74.57 -35.72 63.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.195 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.437 ' CD1' ' HB2' ' A' ' 145' ' ' MET . 3.7 t80 -60.37 -51.24 70.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.177 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 120.727 0.298 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 86' ' ' ILE . 11.5 tt0 -54.31 -57.19 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.852 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.01 -46.4 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 111.552 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -60.78 -49.97 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -55.83 -54.04 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.417 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.6 mt -54.04 -38.62 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.203 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 91' ' ' VAL . 4.2 tm-20 -71.4 -45.42 62.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.974 0.416 . . . . 0.0 110.667 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.605 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.58 -51.9 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.24 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.587 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.01 -35.99 82.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -54.15 -37.44 64.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.73 HG21 ' CB ' ' B' 1908 ' ' SER . 18.6 t -59.02 -28.61 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.153 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 . . . . . 0 C--N 1.333 -0.152 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.43 -179.637 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.623 -0.191 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 99' ' ' LEU . 3.3 mp -123.48 158.6 30.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 105' ' ' LEU . 14.0 tt -138.7 142.64 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 135.92 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.057 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -69.93 -42.75 72.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -52.82 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.7 mm-40 -68.85 -38.42 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.718 HD21 ' HE1' ' A' ' 124' ' ' MET . 16.5 tp -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.856 ' HA ' HG21 ' A' ' 121' ' ' VAL . 48.5 ttp85 -61.19 -51.76 67.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -60.49 -42.17 95.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.693 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.1 t -58.92 -65.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.913 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.449 ' HE3' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.97 -41.77 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.4 p -67.48 -29.87 69.42 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.187 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.33 -16.49 52.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.622 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.506 ' CD1' ' HB1' ' B' 1909 ' ' ALA . 4.2 pp -116.31 -176.46 2.96 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 0.0 111.844 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.77 -135.44 32.84 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.88 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -99.99 43.02 1.08 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt 62.12 64.17 1.01 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.469 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -46.2 130.55 10.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.875 -179.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.522 ' N ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -68.04 151.32 47.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.341 -179.316 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.437 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -68.53 -29.64 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.987 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -47.96 66.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.856 HG21 ' HA ' ' A' ' 106' ' ' ARG . 13.6 p -80.67 -32.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -72.48 -32.2 66.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -35.9 42.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.428 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.718 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.51 -33.67 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.506 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.694 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.8 pt -74.67 -36.97 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.355 . . . . 0.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -32.42 72.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.734 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.54 -12.49 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.716 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -71.93 -52.32 17.8 Favored 'General case' 0 C--N 1.334 -0.081 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.499 179.83 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 1.057 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.78 0.324 . . . . 0.0 111.674 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -69.07 121.76 17.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.492 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.69 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.7 OUTLIER -72.57 -6.62 45.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -81.04 -43.09 20.08 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.466 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -74.24 -38.26 63.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 109.85 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 36.3 t80 -60.52 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.994 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 138' ' ' TYR . 14.5 p -69.08 -36.1 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -57.96 -53.49 57.64 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -32.65 65.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.407 ' CG ' ' CD1' ' B' 1919 ' ' TYR . 5.8 ttm -57.94 -29.42 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.9 m . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.906 0.384 . . . . 0.0 111.415 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . 0.483 ' HA ' HG11 ' A' ' 91' ' ' VAL . 2.7 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.719 0.295 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' 1909 ' ' ALA . 26.4 pt-20 -56.51 -44.51 80.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.4 t -48.85 -53.02 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.169 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.73 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -58.99 -28.63 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.189 178.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.506 ' HB1' ' CD1' ' A' ' 112' ' ' LEU . . . -73.3 -29.88 63.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.129 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.91 -53.25 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.736 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.2 p -57.26 -42.15 79.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.605 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -59.75 -33.28 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.088 0.47 . . . . 0.0 110.377 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.413 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.5 OUTLIER -63.56 -39.01 93.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.736 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.329 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.12 96.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.482 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.413 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.6 m-85 -58.11 -53.65 55.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.172 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -56.9 -34.58 68.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -33.57 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.804 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.407 ' CD1' ' CG ' ' A' ' 145' ' ' MET . 22.4 t80 -65.35 -47.38 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.371 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.735 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.759 0.314 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 86' ' ' ILE . 21.3 tt0 -57.06 -57.17 13.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.539 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.64 -43.61 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.684 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.87 -49.56 65.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.636 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 85' ' ' LEU . 2.6 tm? -56.49 -51.34 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.397 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.703 HG22 ' HE2' ' A' ' 90' ' ' LYS . 32.7 mt -54.85 -41.38 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.338 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -73.28 -43.78 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.939 0.399 . . . . 0.0 110.818 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.64 -45.8 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.236 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -70.23 -35.37 73.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 110.66 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.703 ' HE2' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -51.51 -42.3 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.934 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 t -60.61 -30.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.851 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' B' 1909 ' ' ALA . 43.4 m-85 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.608 ' C ' HD12 ' A' ' 99' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.754 HD11 ' ND2' ' A' ' 137' ' ' ASN . 9.0 mp -121.06 165.81 14.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 111.633 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.46 156.81 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -92.31 139.68 30.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.89 -47.44 59.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -48.46 81.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 108' ' ' VAL . 16.1 mt-10 -70.27 -41.44 73.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.21 -39.52 86.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.818 ' HA ' HG21 ' A' ' 121' ' ' VAL . 19.5 ttm180 -58.82 -51.3 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.259 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -62.41 -49.22 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 104' ' ' GLU . 22.6 t -55.47 -58.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.952 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.1 mmt -60.35 -47.98 83.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.167 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 106' ' ' ARG . 82.5 p -65.2 -38.1 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 111.593 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.84 -15.69 61.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.474 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.3 pp -117.26 -176.18 2.95 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.351 0.596 . . . . 0.0 112.231 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.464 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.33 -132.08 35.65 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.408 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.32 40.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.41 61.93 1.2 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.525 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -45.92 119.53 2.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.972 -179.044 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.1 p -56.88 150.27 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.486 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.38 -30.26 68.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -70.03 -49.1 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.346 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.92 -44.66 94.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.818 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.6 p -65.59 -33.01 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.416 ' HA ' HD11 ' A' ' 125' ' ' ILE . 8.2 t0 -63.92 -34.05 77.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.274 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -71.07 -51.41 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.192 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.2 ptm -58.91 -45.59 89.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.836 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.3 pt -66.14 -29.83 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -40.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.68 -4.87 58.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.089 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -78.5 -51.33 10.14 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.479 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.868 HD11 ' HB2' ' A' ' 102' ' ' ALA . 13.1 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.809 0.337 . . . . 0.0 111.669 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.754 ' ND2' HD11 ' A' ' 99' ' ' LEU . 5.2 m120 -78.04 122.07 25.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.276 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.589 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -75.05 -3.86 35.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.38 -38.99 15.68 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.9 0.381 . . . . 0.0 110.353 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.56 -36.95 57.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.756 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 12.6 t80 -65.6 -49.01 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.893 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.779 ' O ' HG22 ' A' ' 146' ' ' VAL . 13.0 p -68.66 -33.04 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.685 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.51 -54.04 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -31.29 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.793 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.424 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 9.6 ttm -61.56 -40.53 95.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 142' ' ' VAL . 30.8 m . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.533 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.95 -43.79 77.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 23.1 t -52.88 -50.74 42.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.263 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.523 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.7 m -57.26 -30.55 64.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.49 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.51 ' O ' HG22 ' B' 1912 ' ' ILE . . . -72.97 -27.36 61.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.98 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 22.1 mt -66.6 -53.27 37.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.737 0.304 . . . . 0.0 110.687 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -58.58 -39.62 76.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.816 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.701 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -60.68 -34.68 59.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.368 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.433 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -62.54 -39.63 94.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.705 178.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -61.12 -33.36 73.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.148 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.93 87.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 11.1 m-85 -58.19 -35.32 71.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -59.87 -46.93 87.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.493 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.48 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.469 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 24.2 t80 -58.59 -62.81 1.58 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.885 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.632 0.253 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.57 -57.31 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.15 -45.94 62.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.542 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.071 HD23 HG23 ' A' ' 142' ' ' VAL . 20.9 tp -60.13 -48.51 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.5 mt -60.54 -39.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 110.8 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.49 -50.42 73.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.808 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.6 OUTLIER -64.23 -35.91 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.201 0.524 . . . . 0.0 110.472 179.528 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -38.72 58.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.735 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.422 HG12 ' OE1' ' B' 1905 ' ' GLU . 18.9 t -59.2 -31.17 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.789 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.693 -0.163 . . . . 0.0 112.693 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mp -117.65 166.63 12.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.978 0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 tt -144.18 150.03 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.83 135.21 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.024 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.85 -33.31 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.261 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.3 59.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.864 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -73.75 -38.47 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.88 -33.14 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.807 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -65.62 -50.55 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -65.0 -43.4 92.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.29 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 104' ' ' GLU . 35.5 t -58.79 -59.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.632 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.476 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.2 mmt -60.78 -48.35 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.075 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 106' ' ' ARG . 75.2 p -62.77 -47.93 81.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -63.13 -17.85 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.807 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 113' ' ' GLY . 3.8 pp -117.55 -175.62 2.85 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.456 0.646 . . . . 0.0 112.285 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.66 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 66.7 -134.09 32.49 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.278 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -99.1 41.96 1.12 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm 61.83 62.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.624 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -47.33 117.94 1.97 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.822 -179.157 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -56.84 152.66 12.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.516 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.53 -28.98 66.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.304 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.34 -47.97 45.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.27 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.12 -41.88 93.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.222 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.807 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.6 p -68.25 -32.8 57.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -40.07 79.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.605 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.29 -52.11 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.456 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.622 ' HE2' HG23 ' A' ' 121' ' ' VAL . 4.4 ptt? -60.16 -50.51 73.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.88 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 121' ' ' VAL . 18.8 pt -58.77 -27.48 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 0.0 111.62 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -42.83 62.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.04 -4.77 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.859 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.451 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -70.11 -52.01 27.11 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.982 0.42 . . . . 0.0 110.332 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 1.024 HD11 ' HB2' ' A' ' 102' ' ' ALA . 23.6 mt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.839 0.352 . . . . 0.0 111.673 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -79.67 125.38 29.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.612 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -76.71 -0.99 25.68 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -87.17 -40.7 14.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.257 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.43 -36.27 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 8.9 t80 -65.3 -48.15 74.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.904 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 1.071 HG23 HD23 ' A' ' 85' ' ' LEU . 10.3 p -67.95 -36.21 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -59.16 -53.07 62.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.579 ' HE3' ' HA ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -71.98 -31.83 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.625 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.579 ' HA ' ' HE3' ' A' ' 144' ' ' MET . 1.7 ttp -58.39 -39.26 79.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 111.201 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 142' ' ' VAL . 4.5 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.385 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . 0.422 ' OE1' HG12 ' A' ' 91' ' ' VAL . 3.5 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.711 0.291 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -37.65 77.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.27 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.739 ' O ' HG22 ' B' 1910 ' ' ILE . 37.5 t -58.77 -60.86 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.631 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.3 m -55.01 -24.46 24.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.571 ' O ' HG22 ' B' 1912 ' ' ILE . . . -78.54 -27.91 46.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.66 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . 0.838 HD13 ' O ' ' B' 1910 ' ' ILE . 0.1 OUTLIER -74.67 -34.98 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.784 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -70.66 -38.75 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.808 HD11 ' CD2' ' A' ' 89' ' ' PHE . 3.0 tt -63.23 -32.85 57.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.837 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 5.6 tt0 -62.7 -40.03 95.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.464 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -60.68 -33.75 73.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.041 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -59.11 -48.3 82.11 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.472 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.1 m-85 -56.14 -39.27 72.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.699 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -59.4 -39.32 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.203 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -73.06 -34.09 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 20.3 t80 -58.94 -59.78 4.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.675 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -55.69 -57.3 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.459 -179.558 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.91 -47.93 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.699 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.4 -48.08 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.464 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 89' ' ' PHE . 2.5 tm? -57.51 -49.7 75.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.8 mt -58.39 -40.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.697 0.284 . . . . 0.0 111.162 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -69.91 -47.39 62.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.042 0.448 . . . . 0.0 110.6 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.24 -51.73 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.638 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.1 OUTLIER -62.68 -35.83 80.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.326 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -50.89 -42.66 59.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.713 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.428 HG21 ' OG ' ' B' 1908 ' ' SER . 22.2 t -60.61 -26.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.022 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 CA--C 1.528 0.108 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.22 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.707 -0.157 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.629 HD23 ' OD1' ' A' ' 137' ' ' ASN . 1.8 mp -123.89 165.28 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.429 HD13 ' CE1' ' A' ' 89' ' ' PHE . 4.7 tt -144.57 143.23 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.115 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.27 136.95 33.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.792 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.08 -35.13 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.282 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.47 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.238 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.892 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 mm-40 -78.13 -36.18 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.609 HD21 ' HE1' ' A' ' 124' ' ' MET . 30.7 tp -58.28 -37.76 75.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.231 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.812 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -61.0 -51.3 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.68 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -63.16 -45.32 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.335 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 104' ' ' GLU . 23.6 t -56.79 -61.5 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.899 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.41 ' HG2' HD12 ' A' ' 105' ' ' LEU . 13.5 mmt -59.91 -48.26 82.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 106' ' ' ARG . 67.4 p -64.39 -40.2 95.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 111.384 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.09 -13.81 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.917 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.3 pp -117.09 -175.63 2.83 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.398 0.618 . . . . 0.0 112.154 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.5 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 63.47 -134.89 41.96 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.239 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -98.68 43.33 1.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 61.65 61.27 1.48 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.639 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 117' ' ' THR . 0.5 OUTLIER -46.59 125.37 6.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.016 -179.07 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.406 ' N ' HD23 ' A' ' 116' ' ' LEU . 1.2 p -61.18 151.93 30.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.399 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' HG12 ' A' ' 121' ' ' VAL . 14.3 t70 -68.97 -31.01 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.946 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -47.42 69.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.87 -39.61 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.812 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.9 p -78.36 -32.59 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -72.26 -30.09 64.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -79.64 -36.05 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.631 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.609 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.29 -33.69 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.688 -179.303 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' VAL . 18.6 pt -74.58 -42.99 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.508 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.995 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.68 -25.17 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.315 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.2 70.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.633 0.254 . . . . 0.0 111.413 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.432 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.801 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.6 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.629 ' OD1' HD23 ' A' ' 99' ' ' LEU . 1.3 m120 -68.89 127.05 31.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.54 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.436 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -82.45 4.91 22.32 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.2 -39.49 13.51 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.62 -41.4 46.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.419 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.446 ' CE2' ' CE ' ' A' ' 145' ' ' MET . 45.6 t80 -63.44 -46.49 86.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.942 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.539 ' O ' HG22 ' A' ' 146' ' ' VAL . 8.7 p -66.37 -34.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -70.2 -41.98 72.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.887 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.451 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.8 ptm -71.44 -33.54 69.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.604 ' HG3' HG13 ' A' ' 146' ' ' VAL . 13.1 ptp -69.58 -35.34 75.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.604 HG13 ' HG3' ' A' ' 145' ' ' MET . 30.0 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.825 0.345 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.44 -54.59 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.4 p -48.82 -41.19 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 111.294 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.531 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.5 m -61.42 -36.01 79.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.307 0.575 . . . . 0.0 109.568 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.536 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.22 -26.22 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.606 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.95 -51.49 72.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 120.703 0.287 . . . . 0.0 110.315 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.42 HG12 ' O ' ' B' 1908 ' ' SER . 11.3 p -64.22 -36.83 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.869 0.366 . . . . 0.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.638 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.1 tt -63.21 -33.63 62.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.91 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.43 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -64.0 -40.58 96.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.537 178.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -33.69 74.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.849 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.126 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.1 m-85 -61.72 -36.29 80.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.992 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -59.47 -43.31 93.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.36 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -74.14 -29.13 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.331 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.451 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 6.2 t80 -63.61 -43.77 95.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.256 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.024 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.632 0.253 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.8 tt0 -61.45 -56.93 14.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.248 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -70.12 -29.67 66.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.367 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.69 -50.28 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.194 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.929 HD23 HG23 ' A' ' 142' ' ' VAL . 28.4 tp -59.98 -49.0 79.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.175 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 82' ' ' GLU . 26.7 mt -59.66 -38.51 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.937 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.54 -46.35 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.414 . . . . 0.0 110.813 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.44 -45.68 92.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.75 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.7 OUTLIER -65.5 -35.55 81.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.116 0.484 . . . . 0.0 110.436 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -39.97 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.424 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.38 -29.02 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.71 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.423 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.71 -0.156 . . . . 0.0 112.71 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 99' ' ' LEU . 4.5 mp -125.66 153.73 43.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.725 0.298 . . . . 0.0 110.769 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 105' ' ' LEU . 11.7 tt -135.59 142.23 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.271 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.21 135.45 36.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.955 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.16 -40.29 71.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.216 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.98 -53.07 62.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.867 ' O ' HG23 ' A' ' 108' ' ' VAL . 23.9 mt-10 -72.59 -40.97 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.614 HD21 ' HE1' ' A' ' 124' ' ' MET . 46.2 tp -57.97 -28.49 64.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.398 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.764 ' HA ' HG21 ' A' ' 121' ' ' VAL . 52.3 ttp180 -70.33 -51.74 27.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.338 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -63.74 -36.73 84.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 104' ' ' GLU . 41.4 t -63.85 -63.61 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -59.97 -45.64 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.089 -178.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 106' ' ' ARG . 73.2 p -63.88 -36.59 84.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.371 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -73.36 -16.9 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.414 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.51 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -115.4 -177.1 3.06 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-O 121.457 0.646 . . . . 0.0 112.214 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.93 -134.3 37.34 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.42 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -98.37 42.79 1.08 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 61.65 61.25 1.48 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.576 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.549 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -45.77 117.94 1.65 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.052 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -60.94 153.59 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.124 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.473 ' HA ' HG12 ' A' ' 121' ' ' VAL . 19.9 t0 -68.72 -29.08 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.73 -48.22 69.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.75 -41.83 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.188 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.764 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.6 p -76.07 -32.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.62 -30.8 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.24 -37.59 44.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.606 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.614 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -75.11 -33.98 61.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.675 -179.416 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.722 HG23 ' O ' ' A' ' 121' ' ' VAL . 20.7 pt -74.36 -36.3 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 111.669 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -29.31 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -21.58 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.613 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.67 68.8 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.955 HD11 ' HB2' ' A' ' 102' ' ' ALA . 28.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.331 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.58 130.68 43.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.294 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.519 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -84.18 6.65 21.73 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -41.67 12.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.981 0.419 . . . . 0.0 110.347 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.87 -36.22 56.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -66.77 -49.19 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.8 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.929 HG23 HD23 ' A' ' 85' ' ' LEU . 14.1 p -64.33 -36.58 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.494 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -72.99 -42.72 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.857 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.473 ' HE3' ' C ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -71.77 -31.93 67.14 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.009 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -28.73 54.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.621 0.248 . . . . 0.0 111.645 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 142' ' ' VAL . 14.1 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.279 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.814 0.34 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -66.57 -49.5 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 14.6 m -54.14 -45.4 66.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.844 0.354 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.41 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 55.8 p -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.183 0.516 . . . . 0.0 109.898 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -75.14 -18.71 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.137 179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.94 -47.55 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.068 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.1 p -65.31 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 89' ' ' PHE . 3.3 tt -62.15 -33.21 57.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.115 0.483 . . . . 0.0 110.065 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.436 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -61.99 -43.38 98.95 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.347 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -28.68 68.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.215 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -64.13 -44.56 91.83 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.217 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -59.19 -34.86 72.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.476 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -60.43 -49.97 75.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -33.73 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.398 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.441 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 10.8 t80 -59.1 -49.96 75.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.541 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.951 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.79 0.329 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.486 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -56.32 -57.51 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.584 -179.617 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.95 -46.73 86.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.637 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.81 -50.28 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.525 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.565 HD13 ' C ' ' A' ' 85' ' ' LEU . 2.6 tm? -57.18 -53.09 62.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.443 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 82' ' ' GLU . 29.8 mt -55.14 -39.62 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.381 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -72.85 -42.9 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.138 0.494 . . . . 0.0 110.761 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.07 -45.55 92.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.967 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.644 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -69.26 -35.31 75.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.671 179.833 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.39 -42.47 61.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.2 t -59.53 -27.36 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.401 ' CZ ' ' OG ' ' B' 1908 ' ' SER . 52.2 m-85 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.022 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.441 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.407 -0.277 . . . . 0.0 112.407 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.1 mt -112.9 152.88 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 tt -145.76 133.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -74.53 138.49 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.004 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.25 -36.96 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.262 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -53.04 62.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.865 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -73.73 -38.93 64.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.9 tp -57.57 -31.88 66.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.816 ' HA ' HG21 ' A' ' 121' ' ' VAL . 8.7 ttp180 -68.47 -51.23 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -63.65 -44.93 92.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.349 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 104' ' ' GLU . 38.3 t -56.96 -61.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.755 -179.424 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.441 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.2 mmt -60.92 -48.23 82.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.189 -178.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 106' ' ' ARG . 70.8 p -64.53 -38.77 92.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.603 -179.377 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -71.31 -17.51 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.725 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.3 pp -118.58 179.48 4.11 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-O 121.516 0.674 . . . . 0.0 112.267 -179.489 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.655 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 71.78 -129.83 16.58 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.227 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -101.42 39.21 1.46 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm 62.23 61.86 1.25 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.461 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.541 HD21 ' OE1' ' A' ' 120' ' ' GLU . 0.4 OUTLIER -45.92 119.01 2.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.977 -179.015 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 p -56.13 147.76 19.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.618 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.36 -27.12 65.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.78 -48.43 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.541 ' OE1' HD21 ' A' ' 116' ' ' LEU . 3.9 tt0 -59.92 -44.21 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.816 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.1 p -65.25 -32.54 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.31 -36.66 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.07 -52.21 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.631 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.698 ' HE2' HG23 ' A' ' 121' ' ' VAL . 3.7 ptt? -60.19 -46.07 90.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.796 -179.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.3 pt -63.89 -27.59 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.713 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -42.39 59.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.77 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -81.45 -23.06 37.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.445 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -58.67 -51.61 69.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.656 0.265 . . . . 0.0 111.479 -179.564 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.348 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.9 mt . . . . . 0 CA--C 1.522 -0.096 0 CA-C-O 120.843 0.354 . . . . 0.0 111.508 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -84.96 125.08 32.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.295 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.493 ' O ' HG12 ' A' ' 142' ' ' VAL . 3.4 p90 -77.03 -1.12 27.25 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -88.85 -39.79 13.59 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 120.856 0.36 . . . . 0.0 110.052 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.16 -38.95 50.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 11.2 t80 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.867 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.527 ' O ' HG22 ' A' ' 146' ' ' VAL . 13.5 p -68.58 -33.78 61.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.676 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -53.7 55.07 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -32.02 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.061 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.422 ' HG2' ' CD1' ' B' 1919 ' ' TYR . 1.9 mtm -57.24 -34.33 68.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.8 m . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.395 -179.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.989 0.424 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.06 -51.15 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 16.7 m -53.71 -42.29 50.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.803 0.335 . . . . 0.0 111.563 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.64 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 17.0 p -57.11 -36.2 70.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.571 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.777 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.81 -25.34 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.118 179.429 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.0 mt -61.31 -56.86 15.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 110.154 179.235 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -61.75 -37.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.461 179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.644 HD11 ' CG ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -62.08 -34.75 65.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.16 0.505 . . . . 0.0 109.843 179.636 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.1 tt0 -60.82 -41.37 95.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.618 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -60.91 -33.76 73.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.207 178.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -59.82 -44.84 93.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.609 179.458 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.0 m-85 -60.32 -35.66 76.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -60.91 -43.81 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.21 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -70.94 -32.42 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.174 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' A' ' 145' ' ' MET . 17.7 t80 -57.78 -62.16 2.0 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.417 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.741 179.639 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.793 0.33 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.06 82.44 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -50.89 173.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.659 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -145.3 39.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.18 -30.47 70.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.072 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.67 -43.42 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.129 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.9 tt0 -57.31 -57.22 13.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.555 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -63.62 -42.89 98.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.508 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -68.26 -35.18 77.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.069 HD23 HG23 ' A' ' 142' ' ' VAL . 13.6 tp -70.51 -48.01 57.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.716 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 82' ' ' GLU . 9.1 mt -62.09 -40.7 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.81 -44.68 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.18 -42.32 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.001 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.723 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.2 OUTLIER -70.67 -36.41 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.29 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -52.95 -37.59 61.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.477 HG21 ' OG ' ' B' 1908 ' ' SER . 21.7 t -58.84 -28.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.087 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' B' 1905 ' ' GLU . 68.9 m-85 -104.87 29.19 6.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -74.16 135.68 42.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -126.87 -45.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -31.44 70.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.09 -43.03 1.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.429 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -74.57 -36.9 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.449 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 140.8 56.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -131.45 162.52 30.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.436 HD13 ' CE1' ' A' ' 89' ' ' PHE . 4.0 tt -140.39 145.42 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m -85.28 125.54 32.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.979 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -67.06 -34.51 77.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.27 -53.11 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.5 mt-10 -78.12 -37.83 45.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.607 HD11 ' SD ' ' A' ' 109' ' ' MET . 38.5 tp -58.01 -30.1 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.201 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 110' ' ' THR . 0.2 OUTLIER -65.85 -51.7 56.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.023 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -65.63 -39.56 91.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.8 t -58.4 -62.73 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.567 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.607 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.88 -48.3 82.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.969 -179.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.1 p -61.59 -39.94 92.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.734 0.302 . . . . 0.0 111.439 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -71.99 -17.01 62.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.694 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.589 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.4 pp -115.43 -177.57 3.17 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.476 0.655 . . . . 0.0 112.155 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.405 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.52 -134.95 35.89 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.666 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -97.9 42.27 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 61.4 63.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.934 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.472 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -48.49 119.83 3.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.657 -179.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.7 p -55.56 145.25 23.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.761 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.454 ' OD1' HG21 ' A' ' 110' ' ' THR . 19.4 m-20 -69.44 -29.17 66.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.273 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -73.94 -47.91 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -59.81 -39.67 85.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.132 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.553 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.5 p -69.42 -32.52 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.418 ' HA ' HD11 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -67.06 -30.98 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.455 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.5 -52.07 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.446 ' CE ' ' CZ ' ' B' 1916 ' ' TYR . 3.7 ptt? -56.87 -39.66 74.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.609 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.574 HD12 ' HB1' ' A' ' 102' ' ' ALA . 18.1 pt -74.02 -33.02 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.719 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' HA ' HD12 ' A' ' 130' ' ' ILE . 4.9 ttm-85 -66.87 -41.04 87.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.129 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -79.9 -21.06 44.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.624 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.506 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -60.72 -51.54 68.92 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 172.22 -81.02 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.242 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 126' ' ' ARG . 28.8 mt 59.73 93.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.88 146.78 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.91 -95.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.88 -75.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.805 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -164.77 28.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.735 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -73.98 132.75 42.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.798 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.979 HD11 ' HB2' ' A' ' 102' ' ' ALA . 30.8 mt -137.53 112.79 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.502 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.96 123.77 26.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.288 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.612 ' O ' HG12 ' A' ' 142' ' ' VAL . 2.2 p90 -77.66 -0.97 28.73 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -85.61 -42.35 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.894 0.378 . . . . 0.0 110.582 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -76.13 -38.42 56.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.806 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.15 -49.33 76.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.954 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 1.069 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -68.25 -34.25 65.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.977 0.417 . . . . 0.0 110.358 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.27 -53.49 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.8 ptm -70.13 -31.69 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.205 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.434 ' SD ' HD22 ' A' ' 85' ' ' LEU . 47.6 ttm -58.48 -32.45 68.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.3 m -107.53 -32.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.5 t -63.82 -30.18 71.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.1 tttt . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.895 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -59.91 138.14 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 5.5 mttm -73.35 77.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -62.64 -20.86 65.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.436 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 92' ' ' PHE . 7.2 mt-10 -54.76 -52.24 63.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.722 0.296 . . . . 0.0 111.429 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' B' 1909 ' ' ALA . 3.8 pt-20 -60.19 -41.11 92.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 20.4 t -53.45 -57.4 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.989 0.424 . . . . 0.0 111.269 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.477 ' OG ' HG21 ' A' ' 91' ' ' VAL . 3.2 m -57.58 -27.11 62.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.578 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.589 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -70.67 -28.4 64.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 49.0 mt -72.46 -51.53 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.741 0.305 . . . . 0.0 110.5 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.472 HG13 ' N ' ' B' 1912 ' ' ILE . 12.1 p -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.723 HD11 ' CD2' ' A' ' 89' ' ' PHE . 6.5 tt -59.08 -31.99 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 110.408 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.2 tt0 -63.7 -36.64 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.497 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -62.61 -35.65 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.88 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.67 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.5 m-85 -58.97 -39.34 81.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.672 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -59.2 -44.36 92.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.578 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -72.4 -33.04 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.451 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 34.6 t80 -60.49 -54.59 43.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -31.33 71.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.988 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 52.2 mt -82.55 -77.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -6.18 -74.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.191 1.396 . . . . 0.0 114.731 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -73.75 66.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.034 0.445 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -174.93 76.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -109.62 -65.86 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 34.2 mttm -160.87 133.18 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.217 -0.897 . . . . 0.0 112.092 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -127.11 27.94 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 57.2 -172.97 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.862 0.363 . . . . 0.0 111.162 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -176.8 37.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.761 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.33 -50.15 66.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -40.75 74.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.354 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' O ' HD12 ' A' ' 86' ' ' ILE . 24.9 tt0 -65.53 -55.78 15.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.645 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -67.94 -34.4 76.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.34 -49.81 21.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.358 . . . . 0.0 111.315 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.748 HD11 ' CE2' ' A' ' 89' ' ' PHE . 59.4 tp -59.26 -50.32 74.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.204 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 82' ' ' GLU . 36.6 mt -59.97 -39.51 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -69.09 -45.36 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.703 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.575 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.51 -40.66 92.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.748 ' CE2' HD11 ' A' ' 85' ' ' LEU . 2.0 m-85 -72.15 -35.59 69.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.623 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -35.82 62.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.818 HG21 ' OG ' ' B' 1908 ' ' SER . 24.6 t -64.5 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.611 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -104.31 28.63 6.69 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -78.57 84.85 4.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 110.659 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -83.14 -40.12 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.314 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.761 ' OD2' HD12 ' A' ' 99' ' ' LEU . 3.1 t70 -57.96 -22.7 50.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.464 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.09 -45.35 2.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.172 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -80.07 -46.79 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.54 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.432 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 150.57 43.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.895 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.761 HD12 ' OD2' ' A' ' 95' ' ' ASP . 4.4 mt -122.91 151.38 41.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.472 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.53 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.7 tt -138.43 129.67 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.388 . . . . 0.0 111.375 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.31 139.33 52.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.043 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.85 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.2 -34.48 70.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.361 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.23 -53.08 62.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.332 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.0 pt-20 -73.99 -44.31 55.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.554 HD11 ' SD ' ' A' ' 109' ' ' MET . 23.4 tp -55.22 -33.46 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.456 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.806 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -65.33 -51.61 59.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.011 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 104' ' ' GLU . 42.3 t -56.55 -63.95 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.717 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.554 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.72 -48.13 83.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.955 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.1 p -61.09 -44.32 97.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.307 . . . . 0.0 111.368 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -67.29 -17.62 64.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.618 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.496 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.4 pp -115.09 -176.22 2.86 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.468 0.651 . . . . 0.0 112.211 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.462 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 64.85 -133.88 37.52 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.531 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -98.33 41.84 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 61.72 60.88 1.52 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.642 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -46.76 124.79 6.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.913 -179.066 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.9 p -65.24 153.63 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.261 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.452 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.2 t70 -69.05 -30.28 68.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.009 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.34 -49.0 68.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.83 95.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.806 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.7 p -73.67 -32.25 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.005 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -72.36 -34.89 68.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -73.2 -38.46 66.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.706 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.414 ' CE ' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -75.09 -33.97 61.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.247 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.821 HD12 ' HB1' ' A' ' 102' ' ' ALA . 22.0 pt -74.6 -28.03 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 111.605 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.42 -29.05 59.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -82.38 -28.8 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.345 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -66.33 -51.71 54.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 111.431 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.2 OUTLIER 172.2 -58.49 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.215 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.563 HD12 ' CB ' ' A' ' 102' ' ' ALA . 5.8 tt 44.87 39.12 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.208 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.08 143.2 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 101.61 60.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.0 30.16 19.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.1 57.43 4.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.66 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.466 ' HB3' HD22 ' A' ' 99' ' ' LEU . 16.4 m170 -123.63 111.6 16.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 110.618 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.85 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.8 mt -117.44 108.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.342 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.547 ' N ' HD23 ' A' ' 99' ' ' LEU . 2.1 t-20 -74.23 126.11 29.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.408 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.611 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.3 p90 -78.5 0.33 26.47 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -86.77 -40.59 14.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.087 0.47 . . . . 0.0 110.124 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.79 -39.72 50.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.47 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.448 ' CZ ' ' CE ' ' A' ' 145' ' ' MET . 25.8 t80 -61.41 -48.61 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.092 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.886 ' O ' HG22 ' A' ' 146' ' ' VAL . 10.3 p -67.51 -36.51 76.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.952 0.406 . . . . 0.0 110.142 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -62.38 -53.49 54.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.945 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -32.94 69.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.364 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.616 ' HE3' HD22 ' A' ' 85' ' ' LEU . 1.8 ttp -60.08 -52.96 63.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 142' ' ' VAL . 23.4 m -84.87 -32.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.76 37.23 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.742 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 pttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.919 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.2 tptm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.25 89.14 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -148.41 107.84 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . 0.416 ' HA ' HG12 ' B' 1907 ' ' VAL . 4.4 mm100 -68.81 -21.74 64.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.507 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -58.46 -65.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 0.0 111.657 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.92 -54.85 37.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.478 HG13 ' N ' ' B' 1908 ' ' SER . 14.4 p -50.38 -46.87 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 120.808 0.337 . . . . 0.0 111.507 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.818 ' OG ' HG21 ' A' ' 91' ' ' VAL . 2.7 m -59.51 -31.7 69.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.083 0.468 . . . . 0.0 110.171 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -74.5 -24.45 59.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.024 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.2 mm -67.39 -50.89 58.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 11.2 p -63.83 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.706 ' CG1' HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -60.71 -34.85 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.442 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.451 ' HG3' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -63.31 -39.3 94.18 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -61.41 -33.36 73.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.08 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.59 92.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.402 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.8 m-85 -57.1 -36.77 71.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.539 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -49.41 77.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.03 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . 0.401 ' HA ' HD21 ' B' 1921 ' ' LEU . 1.0 OUTLIER -62.19 -35.03 77.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.039 179.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.422 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 38.7 t80 -62.85 -60.9 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.209 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.83 -37.52 66.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.468 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . 0.544 HD12 ' C ' ' B' 1921 ' ' LEU . 4.2 pp -85.19 144.6 28.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.791 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.09 -178.64 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.142 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -59.72 154.4 18.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.89 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.248 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 31.7 t -60.83 110.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 5.9 mtpt 59.02 45.55 14.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.036 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.885 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.777 0.322 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -133.12 78.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.632 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -78.68 -174.39 3.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.229 0.538 . . . . 0.0 111.22 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -124.97 71.56 1.19 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.822 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -56.03 -19.58 13.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.964 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -98.45 -61.67 1.35 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 111.502 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.649 ' HG3' HD11 ' A' ' 86' ' ' ILE . 1.4 tt0 -62.54 -57.77 9.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.117 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -57.97 -38.56 76.25 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -74.98 -50.03 17.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 111.538 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.914 HD23 HG23 ' A' ' 142' ' ' VAL . 28.0 tp -59.28 -48.48 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.143 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.649 HD11 ' HG3' ' A' ' 82' ' ' GLU . 42.1 mt -58.87 -40.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.694 0.283 . . . . 0.0 110.61 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -46.33 68.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.969 0.414 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.54 -52.22 66.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.924 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.757 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -60.59 -35.52 76.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.158 0.504 . . . . 0.0 110.35 179.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -41.82 62.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.753 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.51 -27.24 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.165 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.447 ' CE1' HG11 ' A' ' 108' ' ' VAL . 77.2 m-85 -101.96 28.96 5.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.136 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -69.02 147.97 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -131.81 -60.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.469 ' CB ' HD13 ' A' ' 99' ' ' LEU . 13.0 m-20 -60.09 -30.23 69.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.53 -45.57 1.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.376 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -64.61 -32.11 73.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.809 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.456 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 133.46 46.25 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.644 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 135' ' ' HIS . 4.0 mp -118.43 152.83 35.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.432 HD13 ' CE1' ' A' ' 89' ' ' PHE . 3.7 tt -132.23 141.83 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.09 135.86 35.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.22 -41.1 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.31 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.507 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.861 ' O ' HG23 ' A' ' 108' ' ' VAL . 49.1 mt-10 -77.11 -40.42 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.541 HD21 ' SD ' ' A' ' 124' ' ' MET . 47.6 tp -56.63 -40.21 75.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.289 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.873 ' HA ' HG21 ' A' ' 121' ' ' VAL . 3.5 ttt180 -60.11 -51.27 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.004 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -63.74 -44.74 92.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.046 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 104' ' ' GLU . 40.3 t -59.25 -58.74 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.475 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.404 ' HG2' HD12 ' A' ' 105' ' ' LEU . 7.8 mmt -59.95 -45.94 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.816 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 106' ' ' ARG . 80.8 p -67.33 -30.02 69.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 111.19 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -79.89 -13.63 59.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.708 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.447 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -120.18 -176.15 3.14 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 121.244 0.545 . . . . 0.0 111.825 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.47 -134.96 33.37 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.82 43.22 1.07 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt 62.15 61.64 1.3 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.619 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 117' ' ' THR . 0.6 OUTLIER -47.13 131.81 12.54 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.02 -179.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.488 ' N ' HD23 ' A' ' 116' ' ' LEU . 3.4 p -70.23 149.9 46.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.231 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.76 -32.67 74.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.7 -43.65 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.74 -47.5 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.713 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.873 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.4 p -67.06 -32.72 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.03 -52.31 65.78 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.04 -35.17 77.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.355 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.728 ' HE3' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -64.86 -54.34 32.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.5 pt -67.22 -27.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.913 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.27 -39.37 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.117 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.15 -22.83 25.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.592 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.521 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -59.59 -51.82 68.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.2 OUTLIER 173.51 -61.61 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.039 0.447 . . . . 0.0 110.158 179.71 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 129' ' ' ASP . 5.1 tt 44.35 39.36 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.111 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -54.69 173.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.405 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.64 72.77 0.25 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.836 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 178.83 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.898 0.38 . . . . 0.0 110.667 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 116.61 -25.49 9.05 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.567 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.582 ' HB3' HD22 ' A' ' 99' ' ' LEU . 20.4 m80 -66.44 127.07 30.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.699 0.285 . . . . 0.0 110.587 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.793 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.9 mt -121.16 101.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.627 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.97 107.36 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.291 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.763 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.7 p90 -57.8 -19.89 31.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.896 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.25 95.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.901 0.382 . . . . 0.0 110.728 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -71.94 -41.73 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.38 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.478 ' CZ ' ' HG2' ' A' ' 124' ' ' MET . 24.5 t80 -65.82 -48.39 71.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.567 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.914 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -67.86 -36.89 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.396 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -51.71 68.62 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.658 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -31.41 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.451 ' SD ' HD22 ' A' ' 85' ' ' LEU . 50.6 ttm -57.84 -32.47 67.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 142' ' ' VAL . 6.1 m -111.03 -29.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.354 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.37 31.16 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.111 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 22.7 mttt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.853 0.358 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -109.61 32.14 5.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.93 157.24 17.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . 0.488 ' HA ' HG22 ' B' 1907 ' ' VAL . 0.0 OUTLIER -86.47 15.52 5.4 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.207 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.07 -49.49 67.42 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.766 0.317 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.2 -56.56 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.241 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.488 HG22 ' HA ' ' B' 1904 ' ' GLN . 12.8 m -46.32 -49.0 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.939 0.399 . . . . 0.0 111.625 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.499 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 97.8 p -60.1 -32.22 70.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.252 0.549 . . . . 0.0 109.955 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.593 ' O ' HG22 ' B' 1912 ' ' ILE . . . -74.51 -23.73 58.88 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.955 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.3 mt -66.83 -51.85 51.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.933 0.397 . . . . 0.0 110.122 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -61.71 -38.52 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.792 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.757 HD11 ' CG ' ' A' ' 89' ' ' PHE . 2.4 tt -61.98 -33.01 56.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 121.039 0.447 . . . . 0.0 110.352 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.44 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.3 tt0 -63.18 -41.17 99.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.379 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -61.44 -32.95 72.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.08 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -60.5 -44.38 96.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.447 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.458 ' CZ ' ' HE2' ' A' ' 124' ' ' MET . 9.7 m-85 -58.78 -39.11 80.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.364 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -44.63 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.472 179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -31.49 67.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.598 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.9 t80 -58.73 -61.57 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.681 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.2 mt -63.67 -42.16 98.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.212 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . 0.425 HD22 ' N ' ' B' 1921 ' ' LEU . 3.4 mm? -85.48 -177.65 6.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.926 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 11.0 tttp -176.37 176.59 1.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.83 -50.15 3.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.6 tptt 62.23 123.42 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.889 0.376 . . . . 0.0 111.204 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -60.06 -43.28 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? 60.5 82.28 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 3.0 mmmt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.866 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.815 0.34 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -100.45 -38.06 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 61.23 -177.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.45 56.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.991 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.76 -13.1 62.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.911 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 p -109.84 -44.09 3.89 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.782 0.325 . . . . 0.0 111.11 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -58.73 -57.22 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.331 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.32 -35.45 80.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -73.84 -49.91 22.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.752 0.311 . . . . 0.0 111.324 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.791 HD23 HG23 ' A' ' 142' ' ' VAL . 37.6 tp -57.68 -49.78 75.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.466 HD12 ' O ' ' A' ' 82' ' ' GLU . 31.4 mt -58.48 -40.46 78.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 91' ' ' VAL . 7.2 tt0 -69.65 -43.18 73.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.719 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.513 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.54 -46.12 91.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.033 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 85' ' ' LEU . 2.4 m-85 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.65 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -53.22 -36.36 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.484 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.747 HG21 ' OG ' ' B' 1908 ' ' SER . 21.8 t -69.5 -26.85 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.099 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -100.45 28.99 4.63 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -78.65 142.25 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -124.87 -44.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.568 ' OD2' HD12 ' A' ' 99' ' ' LEU . 26.0 t70 -71.19 -30.37 66.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.35 -52.22 0.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -59.91 -49.1 79.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.452 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 154.55 46.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.601 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.723 HD13 ' CG ' ' A' ' 135' ' ' HIS . 29.5 mt -116.09 152.09 34.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 111.04 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.672 HD11 HD13 ' A' ' 105' ' ' LEU . 12.4 tt -138.15 120.32 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.1 t -64.38 130.77 45.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.037 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.45 -31.76 67.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.27 60.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.902 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.2 pt-20 -76.97 -39.91 48.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.672 HD13 HD11 ' A' ' 100' ' ' ILE . 23.7 tp -52.26 -37.97 56.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.518 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.774 ' HA ' HG21 ' A' ' 121' ' ' VAL . 8.5 ttp180 -63.06 -51.56 66.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -64.12 -42.34 96.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.342 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 104' ' ' GLU . 38.7 t -54.67 -64.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 111.714 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.519 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.75 -48.0 83.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.16 -179.013 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 69.4 p -63.88 -32.53 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -76.18 -19.83 58.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.551 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.803 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.3 pp -117.76 -178.06 3.39 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.637 0.732 . . . . 0.0 112.478 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.652 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 68.74 -129.75 24.88 Favored Glycine 0 C--N 1.336 0.553 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.599 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.02 39.71 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 59.91 60.06 2.27 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.428 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.5 OUTLIER -45.08 130.49 7.67 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.15 -178.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -75.93 155.53 35.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.405 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.467 ' HA ' HG12 ' A' ' 121' ' ' VAL . 33.8 m-20 -68.6 -30.83 69.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.71 -40.06 95.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.15 -52.93 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.774 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.0 p -65.21 -33.01 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.37 -52.61 64.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.81 -33.36 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.254 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.767 ' HE3' HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -65.58 -54.19 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.258 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.8 pt -69.85 -26.96 31.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.936 ' HA ' HD11 ' A' ' 130' ' ' ILE . 7.9 mtt85 -74.14 -38.91 63.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.398 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.94 -4.51 32.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 124' ' ' MET . . . -70.44 -51.55 28.53 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.742 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t0 178.41 -68.61 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.857 0.361 . . . . 0.0 111.19 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.936 HD11 ' HA ' ' A' ' 126' ' ' ARG . 22.4 mt 69.07 141.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -176.64 111.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.24 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.6 -121.58 25.08 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.896 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.2 -25.64 34.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.651 0.262 . . . . 0.0 111.417 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 126.48 32.04 0.74 Allowed Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.244 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.723 ' CG ' HD13 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -74.85 83.21 2.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.965 0.412 . . . . 0.0 110.111 179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 1.037 HD11 ' HB2' ' A' ' 102' ' ' ALA . 25.3 mt -86.47 122.88 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.87 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.405 ' OD1' HD23 ' A' ' 99' ' ' LEU . 5.2 m-20 -84.76 129.43 34.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.049 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.606 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -79.77 1.88 25.02 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.94 -42.06 13.45 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -74.48 -36.18 63.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.979 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.463 ' CZ ' ' CG ' ' A' ' 124' ' ' MET . 16.6 t80 -66.88 -48.24 69.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.791 HG23 HD23 ' A' ' 85' ' ' LEU . 14.8 p -68.38 -33.7 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.006 0.431 . . . . 0.0 110.391 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -65.54 -53.29 44.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.413 ' HE3' ' CE1' ' B' 1919 ' ' TYR . 0.2 OUTLIER -68.58 -31.2 70.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.922 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 55.9 ttm -58.9 -46.02 88.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.1 m -92.33 -28.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.0 t -98.3 30.57 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.782 0.325 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 62.1 157.33 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 147.9 26.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.761 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -85.13 56.35 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.063 0.459 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.78 -46.22 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.627 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.33 -48.36 76.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t -55.73 -42.79 71.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.747 ' OG ' HG21 ' A' ' 91' ' ' VAL . 4.8 m -57.15 -34.25 68.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.626 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.803 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.77 -24.95 56.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.133 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.2 mt -64.15 -54.43 31.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.886 0.374 . . . . 0.0 110.358 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' 1912 ' ' ILE . 12.0 p -62.09 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.701 ' CG1' HD12 ' A' ' 85' ' ' LEU . 1.2 tt -62.22 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.605 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -37.58 86.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -34.88 79.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.126 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.89 97.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.528 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.482 ' CZ ' ' HE2' ' A' ' 124' ' ' MET . 9.3 m-85 -59.34 -36.76 76.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.315 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -62.25 -41.14 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.218 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.07 -32.13 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.401 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.443 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 15.4 t80 -58.14 -60.32 3.93 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.308 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . 0.417 HD12 ' CD2' ' B' 1919 ' ' TYR . 8.9 mp -61.78 -28.88 69.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.731 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.06 -37.72 88.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.97 56.55 4.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.74 127.17 36.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . 0.403 ' CE ' ' N ' ' B' 1924 ' ' LYS . 0.0 OUTLIER -74.19 -30.56 62.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 29.4 t -103.1 84.79 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.21 97.18 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.813 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 10.1 pttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.88 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.5 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.815 0.34 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -148.86 77.59 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.46 -169.82 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -131.95 175.63 9.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.934 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -60.31 -19.95 57.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.682 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.83 -39.41 3.28 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.692 0.282 . . . . 0.0 111.32 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.78 -53.92 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.946 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -62.33 -51.54 67.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.647 ' OE2' ' HB2' ' B' 1915 ' ' ALA . 0.5 OUTLIER -65.89 -43.33 88.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.711 0.291 . . . . 0.0 111.66 -179.096 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.035 HD23 HG23 ' A' ' 142' ' ' VAL . 34.1 tp -59.57 -49.73 76.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.967 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.31 -36.54 69.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.79 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -73.18 -47.36 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.592 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.24 -44.49 95.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.74 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.663 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -65.64 -35.95 82.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.269 0.557 . . . . 0.0 110.199 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.81 61.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.668 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.6 t -62.22 -29.4 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.76 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -100.98 28.95 4.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.252 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.34 148.76 35.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -103.06 -79.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.021 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -176.91 37.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.832 0.349 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.786 ' O ' HD13 ' A' ' 99' ' ' LEU . . . -136.53 36.54 1.98 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.337 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 t30 63.63 28.87 15.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 110.94 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . 120.01 46.2 0.39 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.771 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.786 HD13 ' O ' ' A' ' 96' ' ' GLY . 9.0 mp -113.21 144.02 43.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.967 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.79 HD11 HD13 ' A' ' 105' ' ' LEU . 13.1 tt -131.8 136.85 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.187 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 t -77.39 137.57 38.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.882 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.99 -51.27 26.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.621 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.41 74.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.908 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.889 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.0 mt-10 -74.82 -41.22 60.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.382 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.79 HD13 HD11 ' A' ' 100' ' ' ILE . 29.5 tp -57.8 -38.38 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.409 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.779 ' HA ' HG21 ' A' ' 121' ' ' VAL . 6.2 ttm180 -58.51 -51.16 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.322 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -64.41 -42.43 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.466 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.1 t -56.43 -63.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.962 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.66 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.29 -42.78 96.19 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 106' ' ' ARG . 75.0 p -64.97 -36.24 83.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.677 0.275 . . . . 0.0 111.516 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -75.71 -16.51 60.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.673 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.3 pp -115.41 -176.56 2.94 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.306 0.574 . . . . 0.0 112.007 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.69 -134.99 35.43 Favored Glycine 0 C--N 1.336 0.536 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.222 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.66 42.96 1.08 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt 61.71 61.46 1.43 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.583 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.4 OUTLIER -45.74 131.64 9.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.136 -178.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 25.9 p -70.84 150.81 45.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.167 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.433 ' HA ' HG12 ' A' ' 121' ' ' VAL . 1.5 t0 -68.67 -29.9 68.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.096 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.92 -48.99 66.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.207 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.83 -42.5 93.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.95 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.779 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.6 p -75.52 -32.23 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.87 -34.67 78.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.66 -36.08 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.568 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.612 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.46 -33.46 60.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.395 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.735 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.2 pt -73.59 -41.08 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -27.93 64.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.256 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.74 -14.41 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.924 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -64.34 -51.43 63.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -179.53 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 0.0 110.626 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.4 mm 58.05 97.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.24 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -113.78 -34.62 5.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.08 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 138.05 156.3 7.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.7 30.27 19.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.96 75.37 0.27 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.568 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.493 ' HB3' HD23 ' A' ' 99' ' ' LEU . 14.2 m170 -150.69 113.41 4.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.882 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.8 mt -138.09 110.48 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.405 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.46 131.18 44.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.311 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.497 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -86.49 10.37 15.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.06 -39.11 13.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.036 0.446 . . . . 0.0 110.173 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -76.74 -42.19 42.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.435 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 54.8 t80 -62.18 -48.91 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.009 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 1.035 HG23 HD23 ' A' ' 85' ' ' LEU . 12.5 p -63.88 -35.98 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.65 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.09 -43.94 66.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.94 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.438 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.2 ptm -70.87 -31.9 68.72 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -27.22 49.04 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.553 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.1 m -98.47 -32.8 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.234 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.79 22.35 6.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.499 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 55.0 mttt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.333 179.824 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.02 137.35 48.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 19.9 mttt -59.54 95.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -85.97 50.83 2.05 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.402 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.28 -43.18 87.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' B' 1909 ' ' ALA . 18.2 mt-10 -61.82 -53.01 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.653 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -45.08 -57.4 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.607 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.592 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.3 m -57.05 -29.17 63.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.604 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.98 -28.15 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.987 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 41.2 mt -65.78 -52.05 54.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 120.959 0.409 . . . . 0.0 110.323 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.65 -38.82 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.749 ' CG1' HD12 ' A' ' 85' ' ' LEU . 3.6 tt -62.9 -32.0 54.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.963 0.411 . . . . 0.0 110.463 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.4 OUTLIER -63.52 -39.98 95.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -36.05 78.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.034 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . 0.647 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . . . -59.39 -42.13 91.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.367 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 22.0 m-85 -60.11 -35.78 75.98 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.169 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -42.1 86.36 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.911 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -34.55 70.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.83 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 15.1 t80 -59.69 -54.19 49.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.321 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.39 -29.6 67.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.743 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 23.2 mt -74.96 72.56 2.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.001 0.429 . . . . 0.0 110.801 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 7.2 tttt -120.9 -42.59 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -130.72 101.39 5.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.787 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.74 148.97 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -118.9 142.94 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 12.0 tptm -66.38 -43.97 84.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 8.1 mmtm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.955 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.738 0.304 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -122.49 29.01 7.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -55.45 179.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.088 0.471 . . . . 0.0 111.504 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.74 167.01 15.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.47 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -61.27 -14.8 29.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 p -114.43 -38.72 3.99 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.626 0.251 . . . . 0.0 111.367 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 86' ' ' ILE . 4.0 tt0 -56.78 -57.2 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.677 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.95 -40.57 78.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 111.642 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.74 -49.55 68.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.294 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.623 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.5 tm? -58.12 -51.93 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.518 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 82' ' ' GLU . 27.5 mt -56.15 -36.4 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.725 0.298 . . . . 0.0 111.108 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -72.46 -44.81 61.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.703 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.649 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.8 -44.4 96.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -71.2 -35.71 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.082 0.468 . . . . 0.0 110.697 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -53.82 -35.99 62.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.598 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.742 HG21 ' OG ' ' B' 1908 ' ' SER . 23.7 t -66.54 -26.41 37.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.132 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -107.54 29.3 7.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.034 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -74.34 102.45 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -88.56 -51.86 5.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.019 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.62 -30.63 70.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.065 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 101.69 -52.68 0.86 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -61.24 -35.94 78.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.734 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.712 ' C ' HD12 ' A' ' 99' ' ' LEU . . . 139.0 44.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.628 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.712 HD12 ' C ' ' A' ' 98' ' ' GLY . 7.0 mp -125.0 151.24 45.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.683 0.277 . . . . 0.0 110.647 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.503 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.7 tt -135.15 140.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.291 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.19 135.11 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.006 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.06 -39.53 72.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.05 -51.59 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.7 mt-10 -75.21 -38.08 60.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.147 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.555 HD11 ' SD ' ' A' ' 109' ' ' MET . 25.3 tp -58.87 -31.26 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.825 ' HA ' HG21 ' A' ' 121' ' ' VAL . 31.0 ttt180 -67.16 -51.2 56.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -63.65 -40.2 96.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.435 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 104' ' ' GLU . 39.1 t -59.61 -63.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.703 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.555 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.04 -45.05 94.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.967 -178.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 106' ' ' ARG . 80.5 p -65.13 -38.02 89.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.209 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -73.75 -14.08 61.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.465 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.5 pp -118.88 -175.9 3.0 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.416 0.627 . . . . 0.0 112.184 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.465 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 64.87 -134.66 37.61 Favored Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.383 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.52 43.09 1.07 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt 61.39 61.41 1.52 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.75 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -46.7 120.67 3.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.987 -179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.5 p -60.24 152.19 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.145 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HA ' HG12 ' A' ' 121' ' ' VAL . 7.5 p-10 -68.95 -30.75 69.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -67.42 -46.22 73.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.325 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.9 -42.52 99.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.825 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.1 p -72.93 -32.5 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' A' ' 125' ' ' ILE . 0.7 OUTLIER -71.4 -29.58 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.13 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.57 -39.44 58.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.412 ' HE2' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -74.94 -34.49 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.8 pt -74.53 -29.36 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.379 . . . . 0.0 111.39 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.854 ' HA ' HD11 ' A' ' 130' ' ' ILE . 27.2 ttt85 -71.02 -30.95 67.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.15 -5.92 29.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.002 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.458 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -68.98 -52.77 25.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.757 -179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.0 t70 176.99 -69.71 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.854 HD11 ' HA ' ' A' ' 126' ' ' ARG . 30.4 mt 69.85 113.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.0 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.98 -174.15 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.737 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -57.58 -52.73 50.11 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' HB3' ' CE1' ' A' ' 135' ' ' HIS . 8.9 t70 -79.45 -27.06 41.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 0.0 111.008 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 125.17 6.55 6.27 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.313 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.593 ' HB3' HD23 ' A' ' 99' ' ' LEU . 17.3 m80 -64.57 143.94 57.56 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 117.306 0.553 . . . . 0.0 110.679 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 1.006 HD11 ' HB2' ' A' ' 102' ' ' ALA . 31.0 mt -140.14 109.6 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 111.354 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.436 HD21 HD11 ' A' ' 99' ' ' LEU . 3.1 m-80 -69.39 127.13 31.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.527 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.9 OUTLIER -80.25 2.21 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -88.4 -39.36 14.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -76.32 -38.83 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.7 -46.49 82.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.834 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 138' ' ' TYR . 12.3 p -68.84 -33.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.701 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -62.69 -53.91 47.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.05 -31.73 68.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.408 ' HE1' ' HG ' ' A' ' 85' ' ' LEU . 14.3 ttp -57.9 -34.11 69.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 142' ' ' VAL . 32.6 m -107.11 -25.42 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.211 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.1 t -97.38 30.47 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.059 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.035 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.875 0.369 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.18 74.77 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.701 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 4.4 mttt -106.91 79.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -27.91 25.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.86 -48.76 78.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' B' 1907 ' ' VAL . 26.4 pt-20 -58.01 -45.04 87.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.053 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' B' 1906 ' ' GLU . 21.4 t -51.29 -52.71 18.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.957 0.408 . . . . 0.0 111.371 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.742 ' OG ' HG21 ' A' ' 91' ' ' VAL . 1.5 m -55.7 -31.57 62.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.417 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -73.7 -27.32 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 19.8 mt -64.46 -51.36 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.6 p -62.26 -38.27 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.649 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -62.19 -34.61 64.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 121.054 0.454 . . . . 0.0 110.042 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.431 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -63.06 -40.01 96.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 178.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -61.74 -32.76 73.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.157 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.78 96.76 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.217 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 18.7 m-85 -57.75 -38.84 76.09 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.433 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 22.5 mtt180 -60.81 -33.85 73.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.104 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -80.79 -31.42 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.37 -54.57 41.99 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.521 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.4 mt -78.03 -44.14 27.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.643 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 12.2 mt -85.3 78.77 9.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.769 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.62 -46.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.115 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -56.55 -171.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.226 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 11.7 mttp -56.24 146.26 24.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.3 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.3 t -64.3 -41.49 92.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 171.22 12.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 9.6 mtmt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.797 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.38 -46.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 62.25 116.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.837 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 177.49 -35.87 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.973 0.416 . . . . 0.0 111.328 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -52.92 -25.02 10.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.768 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 m -83.58 -57.9 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 111.37 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.509 ' O ' HD12 ' A' ' 86' ' ' ILE . 7.4 pt-20 -59.95 -49.85 76.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.549 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.54 -54.14 50.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.27 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -64.11 -45.19 89.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -58.94 -50.33 74.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.142 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 82' ' ' GLU . 18.6 mt -59.02 -39.93 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.0 -44.63 68.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.02 0.438 . . . . 0.0 110.722 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.59 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.54 -48.19 82.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -65.5 -35.67 81.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.421 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.0 -39.54 63.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.795 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG21 ' OG ' ' B' 1908 ' ' SER . 21.9 t -62.5 -27.24 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.033 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -104.99 28.94 6.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.244 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -71.07 96.33 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.608 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -83.06 -54.49 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.411 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -61.11 -29.97 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.054 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.45 -46.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -66.86 -31.83 72.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.804 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 135.32 44.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.453 HD23 ' CA ' ' A' ' 137' ' ' ASN . 0.9 OUTLIER -125.96 162.86 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.581 0.229 . . . . 0.0 110.741 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.501 ' CD1' HD13 ' A' ' 105' ' ' LEU . 17.9 tt -147.64 136.15 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.1 136.99 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.798 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.26 -37.35 71.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.23 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.55 -52.68 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.405 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.876 ' O ' HG23 ' A' ' 108' ' ' VAL . 28.9 mt-10 -75.88 -37.12 59.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.555 HD11 ' SD ' ' A' ' 109' ' ' MET . 29.5 tp -59.01 -34.55 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.046 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.758 ' HA ' HG21 ' A' ' 121' ' ' VAL . 11.1 ttp180 -63.84 -51.54 64.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.146 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -63.16 -43.21 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.261 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 104' ' ' GLU . 41.8 t -56.58 -62.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.591 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.555 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.22 -45.4 93.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.039 -179.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 106' ' ' ARG . 79.8 p -64.36 -36.26 83.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 111.52 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -74.33 -17.36 60.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.481 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.457 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -114.68 -176.17 2.84 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.288 0.566 . . . . 0.0 111.944 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 65.18 -136.8 37.57 Favored Glycine 0 C--N 1.335 0.497 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.43 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -97.72 44.23 1.05 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm 61.6 62.06 1.37 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.624 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.486 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -47.23 125.59 8.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.836 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.1 p -70.72 153.27 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.532 ' HA ' HG12 ' A' ' 121' ' ' VAL . 4.9 p-10 -69.15 -28.55 66.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.204 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -42.14 64.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.1 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.4 p -74.71 -31.99 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.01 -34.63 75.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.0 -39.59 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.718 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.481 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -73.53 -33.68 64.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.622 0.249 . . . . 0.0 111.618 -179.321 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 121' ' ' VAL . 22.7 pt -74.5 -28.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.728 0.299 . . . . 0.0 111.531 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -73.18 -30.41 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -90.31 -26.69 19.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.8 72.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.453 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.76 -69.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 0.0 110.676 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.509 HG22 ' H ' ' A' ' 132' ' ' GLY . 28.5 mm -111.93 136.81 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -101.52 31.9 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.509 ' H ' HG22 ' A' ' 130' ' ' ILE . . . 173.45 -132.32 2.29 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.458 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -60.72 101.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.405 ' HA3' HG21 ' A' ' 130' ' ' ILE . . . 162.14 166.18 20.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.565 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.401 ' CE1' ' OD1' ' A' ' 95' ' ' ASP . 33.0 m170 -87.81 135.21 33.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 102' ' ' ALA . 16.5 mt -117.86 106.22 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.453 ' CA ' HD23 ' A' ' 99' ' ' LEU . 3.0 t-20 -70.76 124.75 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.771 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.53 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -77.45 -1.6 31.08 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.125 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -87.11 -38.88 16.07 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.718 0.294 . . . . 0.0 110.227 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.9 -40.72 46.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.06 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.816 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 138' ' ' TYR . 13.9 p -68.86 -33.45 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.773 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -54.14 49.73 Favored 'General case' 0 C--O 1.227 -0.128 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.455 ' HE3' ' C ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -71.6 -31.57 67.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.102 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.5 ttm -57.36 -31.71 66.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.5 m -111.21 -29.05 2.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.326 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.2 t -97.75 30.73 2.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 26.5 mtpt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.957 0.408 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.7 32.47 18.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 16.7 pttm -90.92 -31.12 16.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -79.97 -15.13 57.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.721 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -54.08 -48.1 71.0 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.785 0.326 . . . . 0.0 111.425 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.38 -31.03 70.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.714 ' O ' HG22 ' B' 1910 ' ' ILE . 23.5 t -65.01 -59.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.554 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 2.3 m -57.37 -27.95 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.961 0.41 . . . . 0.0 110.966 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.457 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -79.24 -22.96 44.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.623 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.714 HG22 ' O ' ' B' 1907 ' ' VAL . 0.2 OUTLIER -75.21 -36.33 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.404 179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.423 HG12 ' O ' ' B' 1908 ' ' SER . 13.5 p -72.27 -37.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.921 0.391 . . . . 0.0 110.107 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.59 HD12 ' CB ' ' A' ' 88' ' ' ALA . 1.0 OUTLIER -62.93 -34.29 65.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.836 179.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.468 ' HG3' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -64.09 -41.6 97.24 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.448 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -60.66 -33.21 72.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.955 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.47 97.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.318 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.7 m-85 -61.26 -35.73 78.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.253 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.55 -43.83 93.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.224 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -32.83 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.115 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.9 t80 -60.12 -54.46 45.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.44 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -32.26 73.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.771 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 23.5 mt -77.54 107.78 10.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.98 118.53 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -60.73 157.77 14.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.77 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.76 66.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.744 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.1 p -78.43 146.09 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 24.7 mttt 60.71 157.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.2 mtp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.797 0.332 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.84 123.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.688 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -102.91 -172.07 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -139.42 19.13 2.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.674 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.62 -31.98 63.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.837 0.351 . . . . 0.0 110.782 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 m -99.08 -22.56 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.352 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.05 -57.12 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.698 0.285 . . . . 0.0 111.339 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -67.58 -43.34 80.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.576 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.22 -49.88 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.6 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -57.19 -50.52 72.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.44 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mt -57.62 -39.16 68.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.711 0.291 . . . . 0.0 111.139 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -45.71 61.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.036 0.446 . . . . 0.0 110.494 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.552 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.39 -49.16 78.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.879 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.697 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.2 OUTLIER -66.12 -35.94 81.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.173 0.511 . . . . 0.0 110.208 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.43 -41.08 51.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.889 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG12 ' OE2' ' B' 1905 ' ' GLU . 21.7 t -64.37 -26.16 39.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.89 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' B' 1909 ' ' ALA . 66.1 m-85 -111.34 28.11 9.04 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.68 103.18 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.84 26.21 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.057 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.542 ' HB3' HD12 ' A' ' 99' ' ' LEU . 4.9 m-20 -76.39 -30.36 57.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.726 0.298 . . . . 0.0 110.856 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 144.58 -71.19 0.38 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.379 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.46 -30.23 25.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.749 0.309 . . . . 0.0 110.782 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 139.53 52.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' A' ' 95' ' ' ASP . 2.0 mt -109.3 150.82 27.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' A' ' 105' ' ' LEU . 14.2 tt -130.2 142.05 44.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.203 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.4 m -83.92 128.02 34.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -68.36 -31.69 71.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.431 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.76 -53.58 56.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.214 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.89 ' O ' HG23 ' A' ' 108' ' ' VAL . 2.2 mt-10 -78.48 -35.2 46.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD11 ' SD ' ' A' ' 109' ' ' MET . 24.6 tp -56.09 -35.57 67.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.491 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.786 ' HA ' HG21 ' A' ' 121' ' ' VAL . 10.4 ttt180 -63.93 -51.4 64.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.421 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -64.12 -41.12 97.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.7 t -58.7 -62.78 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.75 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.486 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.51 -48.1 83.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.066 -178.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 62.1 p -61.63 -37.56 84.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.313 . . . . 0.0 111.386 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -73.03 -17.52 61.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.468 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.2 pp -115.28 -176.53 2.93 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.463 0.649 . . . . 0.0 112.325 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.5 -134.81 38.77 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.542 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -98.2 43.19 1.07 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt 61.44 62.44 1.34 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -46.5 116.58 1.33 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.956 0.408 . . . . 0.0 111.857 -179.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.6 p -55.73 150.0 13.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.619 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' HA ' HG12 ' A' ' 121' ' ' VAL . 2.4 p30 -69.51 -30.54 68.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.054 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -49.15 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -48.88 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.786 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.4 p -64.21 -31.53 53.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.418 ' HA ' HD11 ' A' ' 125' ' ' ILE . 22.4 t70 -68.25 -32.18 72.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.552 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.19 -52.37 9.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.869 0.366 . . . . 0.0 111.606 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -58.34 -35.65 72.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.151 -179.18 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 121' ' ' VAL . 17.3 pt -74.15 -42.43 51.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 111.739 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -28.46 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.311 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -25.22 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.451 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.17 -50.78 71.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.656 0.265 . . . . 0.0 111.64 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.657 ' HB2' HG23 ' A' ' 136' ' ' ILE . 1.1 m-20 179.06 -75.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.644 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 131' ' ' ASP . 29.0 mm -114.99 154.54 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.179 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.405 ' N ' HG22 ' A' ' 130' ' ' ILE . 14.6 p-10 -138.18 142.64 40.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.01 76.35 0.9 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.88 83.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -176.53 149.67 9.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.523 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.44 ' HB3' HD13 ' A' ' 99' ' ' LEU . 42.3 m170 -66.3 136.9 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.3 mt -135.27 106.85 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.413 ' CA ' HD23 ' A' ' 99' ' ' LEU . 6.1 t-20 -68.75 132.31 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.555 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.425 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.6 p90 -85.43 9.11 16.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.57 -40.76 12.41 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 120.962 0.411 . . . . 0.0 110.336 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.81 -39.34 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.536 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 46.2 t80 -65.72 -46.24 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.771 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 146' ' ' VAL . 8.7 p -65.57 -31.27 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.403 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -53.64 46.28 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.422 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 5.9 ptm -69.26 -32.01 70.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.424 ' HG2' ' CG ' ' B' 1919 ' ' TYR . 1.9 mtm -59.55 -41.96 91.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.685 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 142' ' ' VAL . 12.0 p -94.91 -26.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.261 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.6 t -91.31 18.07 7.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.452 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.035 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.927 0.394 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -145.78 155.83 43.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.79 26.5 5.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -85.54 56.03 3.78 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.011 0.434 . . . . 0.0 110.91 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . 0.425 ' OE2' HG12 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -61.84 -54.83 36.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.25 -49.76 73.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.456 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.8 t -46.01 -55.09 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-O 120.837 0.351 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.552 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -57.21 -31.08 65.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.463 179.293 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.526 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.18 -24.63 60.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.084 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.5 mt -69.33 -51.55 41.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.472 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.4 p -59.5 -37.06 68.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.697 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.4 tt -62.26 -33.93 61.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.012 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -62.53 -40.88 98.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.778 178.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -60.03 -34.31 73.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.048 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.589 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -58.53 -34.4 70.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.372 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.04 -41.78 93.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.886 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.67 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.128 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.424 ' CG ' ' HG2' ' A' ' 145' ' ' MET . 8.5 t80 -58.24 -62.64 1.68 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.261 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.05 -28.71 68.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.662 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.92 87.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.654 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -87.65 172.26 9.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.1 mm100 62.81 124.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 11.9 mttm -142.14 35.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.4 p -119.96 148.38 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -177.49 1.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.8 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.805 0.336 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -146.56 -63.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.24 176.58 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -115.8 33.91 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.681 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.76 -20.93 53.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.629 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -98.69 -63.63 1.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.675 0.274 . . . . 0.0 111.527 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 86' ' ' ILE . 8.9 mt-10 -53.66 -57.55 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -59.53 -44.55 93.17 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.94 -50.26 43.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.918 0.39 . . . . 0.0 111.477 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.108 HD23 HG23 ' A' ' 142' ' ' VAL . 29.3 tp -58.05 -49.44 76.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.183 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 82' ' ' GLU . 28.4 mt -60.41 -39.89 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.706 0.288 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -51.29 57.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.958 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.36 -46.17 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.073 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.82 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.1 OUTLIER -63.46 -36.21 83.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.151 0.501 . . . . 0.0 110.361 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -54.46 -39.14 67.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.604 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.629 HG21 ' OG ' ' B' 1908 ' ' SER . 22.0 t -60.75 -26.2 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.984 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -101.54 28.82 5.24 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -60.69 121.65 12.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.781 0.324 . . . . 0.0 110.492 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -77.16 -56.85 4.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.517 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -178.84 -22.84 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.834 ' HA3' HD12 ' A' ' 99' ' ' LEU . . . -85.55 47.06 3.75 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.719 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.81 24.87 2.67 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.892 0.331 . . . . 0.0 111.892 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 134.93 40.62 0.16 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.093 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.834 HD12 ' HA3' ' A' ' 96' ' ' GLY . 36.3 mt -115.38 143.82 44.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.632 HD11 HD13 ' A' ' 105' ' ' LEU . 18.2 tt -136.06 141.46 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 111.338 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.6 m -84.39 140.24 31.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.24 -42.02 69.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.218 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.04 -48.92 79.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.5 mt-10 -73.97 -41.38 62.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.635 HD11 ' SD ' ' A' ' 109' ' ' MET . 27.3 tp -58.19 -34.69 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.811 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.82 -51.49 66.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.626 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -63.95 -37.99 89.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.554 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 104' ' ' GLU . 25.3 t -61.51 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.959 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.635 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.1 -47.96 83.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.219 -178.603 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 72.1 p -60.38 -40.11 89.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.5 -16.89 62.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.617 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.485 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -115.68 -177.91 3.26 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.579 0.704 . . . . 0.0 112.42 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.0 -131.59 33.61 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.391 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -99.65 40.33 1.24 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt 61.73 63.24 1.17 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.555 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.6 OUTLIER -44.85 122.39 3.21 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.958 -178.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -55.36 145.26 22.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.716 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.29 -29.67 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.172 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -71.48 -47.91 52.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.317 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.88 -42.88 94.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.215 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.811 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.5 p -65.28 -32.84 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.171 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.414 ' HA ' HD11 ' A' ' 125' ' ' ILE . 73.2 m-20 -65.12 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.278 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -50.91 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.497 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.447 ' HE2' HG23 ' A' ' 121' ' ' VAL . 3.9 ptt? -60.39 -48.86 79.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.652 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 121' ' ' VAL . 17.0 pt -62.01 -27.63 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.702 0.286 . . . . 0.0 111.565 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -74.92 -39.99 61.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.448 ' HG2' ' HE1' ' A' ' 144' ' ' MET . 4.0 tp10 -89.49 -4.91 57.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.04 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.44 ' CB ' HG21 ' A' ' 136' ' ' ILE . . . -70.89 -50.69 32.3 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.739 0.304 . . . . 0.0 111.436 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 178.59 -72.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 131' ' ' ASP . 25.5 mt -123.8 156.33 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.439 ' N ' HG22 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -138.72 115.57 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.714 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.84 45.33 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 t70 59.99 30.9 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.43 -135.86 8.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.738 ' ND1' HD13 ' A' ' 99' ' ' LEU . 11.4 m170 -117.21 135.6 53.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.75 0.31 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.754 HD11 ' HB2' ' A' ' 102' ' ' ALA . 17.1 mt -137.56 100.4 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.348 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.615 ' N ' HD23 ' A' ' 99' ' ' LEU . 10.6 t30 -65.42 130.73 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.102 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.499 ' O ' HG12 ' A' ' 142' ' ' VAL . 5.6 p90 -84.79 9.31 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.11 -38.99 13.93 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.966 0.413 . . . . 0.0 110.228 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -77.04 -38.33 53.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.606 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 29.7 t80 -66.7 -44.99 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.109 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 1.108 HG23 HD23 ' A' ' 85' ' ' LEU . 13.6 p -68.14 -36.77 76.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.191 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -50.46 71.32 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.761 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.448 ' HE1' ' HG2' ' A' ' 127' ' ' GLU . 3.4 ppp? -69.43 -31.49 69.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.453 ' SD ' HD22 ' A' ' 85' ' ' LEU . 56.0 ttm -57.87 -37.73 74.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 33.7 m -102.24 -25.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.17 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -96.93 34.76 1.66 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.77 0.319 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 16.3 mtp-105 -80.48 -36.06 33.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 38.7 mttt -71.9 -31.8 66.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . 0.602 ' OE1' HG21 ' B' 1907 ' ' VAL . 0.4 OUTLIER -85.47 8.96 17.15 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.005 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 -40.58 89.33 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.821 0.343 . . . . 0.0 110.826 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' B' 1909 ' ' ALA . 1.4 mp0 -64.28 -55.66 19.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.602 HG21 ' OE1' ' B' 1904 ' ' GLN . 22.1 t -46.19 -54.15 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 111.558 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.636 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.2 m -57.1 -30.64 64.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.485 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -75.51 -20.26 58.84 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.129 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.95 -51.98 27.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.879 0.371 . . . . 0.0 110.131 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.44 HG13 ' N ' ' B' 1912 ' ' ILE . 8.6 p -61.41 -44.73 99.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.785 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.82 HD11 ' CD2' ' A' ' 89' ' ' PHE . 5.0 tt -59.49 -30.83 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.478 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.7 tt0 -63.62 -40.92 98.12 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -61.21 -34.21 74.73 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.033 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.44 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.37 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 22.7 m-85 -61.63 -38.16 86.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.143 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -39.57 80.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.99 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -35.36 62.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.814 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.433 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 14.3 t80 -59.19 -61.95 2.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.358 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.36 -20.88 66.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.194 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.71 92.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.753 0.311 . . . . 0.0 111.421 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -115.13 -177.45 3.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.27 -37.95 43.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.27 164.35 23.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . 0.4 HG12 ' N ' ' B' 1926 ' ' LYS . 21.3 t -142.67 154.17 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . 0.4 ' N ' HG12 ' B' 1925 ' ' VAL . 0.0 OUTLIER -92.24 118.05 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.7 mppt? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.864 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -133.81 35.88 3.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.43 -175.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -113.36 164.25 13.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.005 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -62.49 -16.0 53.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.81 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.82 -32.12 8.09 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.528 0.204 . . . . 0.0 111.404 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.2 mt-10 -67.29 -57.88 5.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.786 0.327 . . . . 0.0 111.788 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.83 -30.61 67.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.877 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -75.51 -39.84 57.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.712 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.781 HD11 ' CE2' ' A' ' 89' ' ' PHE . 41.5 tp -72.13 -47.61 49.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.314 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 82' ' ' GLU . 26.1 mt -59.19 -40.82 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.155 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -47.46 66.23 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.029 0.442 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -59.59 -42.41 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.781 ' CE2' HD11 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -69.55 -35.83 75.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.111 0.481 . . . . 0.0 110.031 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -50.33 -38.73 43.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.593 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.92 -30.29 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.667 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -111.15 28.83 8.35 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.71 94.65 3.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 0.0 111.287 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.81 31.2 1.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.22 23.99 8.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.249 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.884 ' HA3' HD12 ' A' ' 99' ' ' LEU . . . 161.6 40.29 0.02 OUTLIER Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.116 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 52.99 43.14 32.11 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.837 0.351 . . . . 0.0 111.735 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.436 ' HA2' ' CE2' ' A' ' 138' ' ' TYR . . . 117.33 26.83 2.81 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.668 -0.777 . . . . 0.0 113.007 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.884 HD12 ' HA3' ' A' ' 96' ' ' GLY . 20.1 mt -107.15 132.75 52.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.74 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 136' ' ' ILE . 3.9 tt -123.2 136.6 59.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.175 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.42 141.7 29.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.84 -38.19 73.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.487 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.44 -53.15 60.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.3 pt-20 -74.44 -42.85 58.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 125' ' ' ILE . 29.3 tp -53.0 -39.91 63.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.692 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.835 ' HA ' HG21 ' A' ' 121' ' ' VAL . 5.1 ttt-85 -61.6 -51.54 68.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -63.48 -48.13 78.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.489 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.3 t -52.36 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.464 ' HB3' HD12 ' A' ' 116' ' ' LEU . 20.6 mmt -60.0 -48.28 82.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 106' ' ' ARG . 68.9 p -62.27 -38.89 91.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.594 0.235 . . . . 0.0 111.559 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -75.5 -14.22 60.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.5 pp -115.07 -177.03 3.03 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.319 0.581 . . . . 0.0 112.055 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.466 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 63.91 -132.62 40.24 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.203 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -99.5 40.97 1.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 61.87 63.73 1.09 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.521 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 109' ' ' MET . 0.6 OUTLIER -45.81 122.73 3.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.123 0.487 . . . . 0.0 111.911 -178.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.7 p -55.49 147.15 18.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.741 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -69.42 -30.19 68.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.66 -47.46 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.299 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.89 -42.68 94.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.122 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.835 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.1 p -66.99 -32.45 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.424 ' HA ' HD11 ' A' ' 125' ' ' ILE . 16.5 t0 -66.07 -31.28 72.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.333 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -74.19 -48.06 31.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.363 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 4.1 ptt? -61.68 -44.79 96.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.795 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.57 ' O ' HD11 ' A' ' 130' ' ' ILE . 17.2 pt -66.79 -40.25 85.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -28.22 64.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.351 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -95.17 -4.71 45.53 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.487 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -78.22 -51.23 10.51 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.64 0.257 . . . . 0.0 111.551 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.01 -66.65 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.733 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.57 HD11 ' O ' ' A' ' 125' ' ' ILE . 29.8 mm 67.42 73.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.935 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.45 138.58 36.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.39 -103.41 0.41 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.555 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -132.0 -46.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.362 . . . . 0.0 110.983 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -137.78 64.15 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.617 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -149.86 116.2 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 102' ' ' ALA . 18.6 mt -141.25 106.18 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.573 ' N ' HD23 ' A' ' 99' ' ' LEU . 1.8 m-20 -69.57 120.21 15.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.299 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.702 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -71.12 -7.87 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.58 -43.41 80.66 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.904 0.383 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.95 -36.17 59.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 49.3 t80 -66.59 -49.48 66.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.002 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.752 HG23 HD23 ' A' ' 85' ' ' LEU . 10.7 p -68.39 -36.21 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.587 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -64.88 -53.49 45.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.6 ' HE3' ' HA ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -68.8 -31.81 71.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.23 -179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.6 ' HA ' ' HE3' ' A' ' 144' ' ' MET . 34.0 ttm -61.26 -45.87 92.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.2 m -91.44 -29.14 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.86 30.19 3.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.7 mttp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.989 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.854 0.359 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -92.21 -36.19 13.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 2.6 tttm 60.3 107.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -86.85 42.62 1.03 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.882 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -71.07 -59.66 2.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.717 0.294 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.4 -52.72 58.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.647 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.444 HG23 ' N ' ' B' 1908 ' ' SER . 15.4 m -50.01 -48.03 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.788 0.328 . . . . 0.0 111.536 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.608 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 24.1 p -57.84 -32.55 67.73 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.155 0.502 . . . . 0.0 110.019 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.551 ' O ' HG22 ' B' 1912 ' ' ILE . . . -75.8 -27.33 57.92 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.934 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.8 mt -61.04 -51.34 74.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 110.204 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -64.03 -39.19 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.539 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.694 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.2 tt -61.05 -32.84 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 110.341 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.445 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -65.11 -40.83 95.07 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.496 178.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -32.8 72.2 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.024 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.61 93.93 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.341 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 16.6 m-85 -58.38 -34.27 70.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.482 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . 0.808 ' O ' HD23 ' B' 1921 ' ' LEU . 0.0 OUTLIER -61.36 -43.25 99.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.223 179.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -73.1 -31.37 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.351 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 9.9 t80 -56.96 -61.8 2.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.85 -27.69 68.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . 0.808 HD23 ' O ' ' B' 1917 ' ' ARG . 3.5 mm? -72.13 78.56 0.95 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.744 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 132.14 49.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.815 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 62.17 85.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.779 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 12.6 mttp -58.38 117.71 4.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . 0.573 HG13 ' O ' ' B' 1925 ' ' VAL . 12.2 p 32.33 78.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 8.9 tttt -57.5 151.01 17.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.863 0.364 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.83 33.59 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -63.05 -178.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -113.01 165.92 11.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.34 -22.41 30.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.714 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -91.57 -58.71 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 111.264 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.622 ' HG3' HD11 ' A' ' 86' ' ' ILE . 4.4 tt0 -58.74 -57.23 13.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.642 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.95 -44.51 74.39 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -73.6 -44.2 57.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.756 0.312 . . . . 0.0 111.32 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.075 HD23 HG23 ' A' ' 142' ' ' VAL . 15.5 tp -61.29 -46.19 91.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.009 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.622 HD11 ' HG3' ' A' ' 82' ' ' GLU . 38.4 mt -61.98 -40.26 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.28 -41.12 67.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.976 0.417 . . . . 0.0 110.786 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.36 -49.54 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.955 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.744 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -65.22 -35.8 82.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.503 179.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.08 -38.21 56.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.597 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.52 -26.25 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.921 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -106.08 27.95 8.12 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.393 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.0 p-10 -81.93 114.11 20.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.807 0.337 . . . . 0.0 110.707 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -117.48 -14.58 10.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.018 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.42 ' N ' ' HD3' ' A' ' 94' ' ' ARG . 1.8 t70 -83.43 -24.97 31.66 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.746 0.308 . . . . 0.0 110.954 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.51 -48.93 0.95 Allowed Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -78.02 -35.82 49.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' HA3' ' CZ ' ' A' ' 138' ' ' TYR . . . 136.79 45.36 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.612 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.769 HD23 ' HB3' ' A' ' 135' ' ' HIS . 10.4 mp -115.42 152.24 33.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.529 ' CD1' HD13 ' A' ' 105' ' ' LEU . 19.8 tt -140.2 125.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.942 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.55 139.14 55.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.193 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.844 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.33 -36.7 71.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.4 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.28 -53.26 58.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.592 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.882 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.8 pt-20 -76.47 -38.78 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.572 HD11 ' SD ' ' A' ' 109' ' ' MET . 25.7 tp -55.24 -38.46 68.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.324 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.797 ' HA ' HG21 ' A' ' 121' ' ' VAL . 12.6 ttt-85 -60.65 -51.65 68.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.186 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.447 ' CD2' ' ND2' ' A' ' 111' ' ' ASN . 11.4 t60 -63.7 -45.11 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.57 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.3 t -55.28 -63.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.572 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.13 -43.96 95.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.687 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 106' ' ' ARG . 77.2 p -63.95 -53.97 41.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.608 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.447 ' ND2' ' CD2' ' A' ' 107' ' ' HIS . 9.2 m-80 -60.57 -17.93 49.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.689 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 113' ' ' GLY . 3.9 pp -110.73 -175.6 2.76 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.604 0.716 . . . . 0.0 112.351 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.658 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 62.24 -136.81 45.41 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.582 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -96.81 43.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? 61.45 62.74 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.69 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.576 HD21 ' OE2' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -46.8 128.59 10.97 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.827 -179.012 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -63.61 146.57 53.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.586 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.36 -29.18 66.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.208 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -70.88 -47.66 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.143 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.576 ' OE2' HD21 ' A' ' 116' ' ' LEU . 16.3 tt0 -59.83 -41.03 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.797 HG21 ' HA ' ' A' ' 106' ' ' ARG . 8.7 p -70.54 -32.63 50.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.107 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.43 ' HA ' HD11 ' A' ' 125' ' ' ILE . 1.2 m-20 -67.82 -28.8 67.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.331 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.35 -47.46 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 111.419 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.537 ' CE ' HG23 ' A' ' 121' ' ' VAL . 4.1 ptt? -61.14 -45.26 95.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.709 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 122' ' ' ASP . 15.7 pt -66.53 -39.84 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.978 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.361 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -92.4 -4.88 53.09 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -78.67 -52.7 8.04 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.704 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.81 -66.85 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.026 0.441 . . . . 0.0 110.547 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.427 HD11 ' O ' ' A' ' 125' ' ' ILE . 23.4 mt 58.95 88.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.005 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.73 95.09 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 119.75 21.34 3.59 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.224 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 57.37 36.65 27.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.821 0.311 . . . . 0.0 111.355 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 135' ' ' HIS . . . 147.69 53.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.697 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.769 ' HB3' HD23 ' A' ' 99' ' ' LEU . 24.4 m80 -160.01 107.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.718 0.294 . . . . 0.0 110.384 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.844 HD11 ' HB2' ' A' ' 102' ' ' ALA . 25.5 mt -131.75 113.8 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.732 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -73.71 128.68 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.58 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.8 p90 -80.53 1.96 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -87.21 -44.62 11.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.923 0.392 . . . . 0.0 110.491 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.29 -35.59 58.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.612 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 60.5 t80 -64.15 -49.29 72.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.814 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 1.075 HG23 HD23 ' A' ' 85' ' ' LEU . 14.7 p -68.28 -32.91 57.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 0.0 110.388 179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -67.32 -53.28 31.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -31.98 69.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.35 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.458 ' CE ' ' CE2' ' A' ' 141' ' ' PHE . 15.5 ttm -63.15 -34.13 76.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 142' ' ' VAL . 13.2 p -103.22 -24.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.652 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.6 t -93.28 22.32 5.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.224 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 6.8 mmtp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -178.85 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.99 124.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -58.81 -23.01 59.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.367 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -59.09 -61.08 2.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.609 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -53.74 -58.95 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.91 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.433 HG23 ' N ' ' B' 1908 ' ' SER . 10.9 m -44.61 -50.04 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.46 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 56.8 p -59.51 -34.78 73.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.204 0.525 . . . . 0.0 109.789 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.597 ' O ' HG22 ' B' 1912 ' ' ILE . . . -72.24 -26.7 62.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.803 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.4 mt -62.85 -51.88 66.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.456 HG12 ' O ' ' B' 1908 ' ' SER . 11.5 p -62.18 -36.01 72.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.636 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.744 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.0 tt -65.16 -33.39 63.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.001 0.429 . . . . 0.0 109.843 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.0 OUTLIER -62.92 -36.3 82.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.487 178.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.33 80.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.801 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.79 94.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.723 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.7 m-85 -59.82 -37.86 80.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -59.39 -45.68 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.572 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -31.63 67.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.525 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.456 ' CG ' ' HG3' ' A' ' 145' ' ' MET . 15.1 t80 -58.5 -51.64 69.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.535 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 6.2 mt -82.21 -38.12 25.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.929 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.1 76.27 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 22.6 mttp -148.78 76.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.687 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -81.12 150.83 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -165.8 -44.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.687 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t -148.72 94.57 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.014 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 10.0 tttm -59.83 -34.89 73.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.854 0.359 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -120.82 -76.96 0.58 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -179.54 177.28 0.74 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.757 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -138.94 24.41 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.233 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.46 -27.45 62.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.298 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -99.48 -51.36 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.034 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.3 mt-10 -54.86 -53.6 53.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.889 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.71 -46.43 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.842 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -65.5 -50.42 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.708 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.577 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.3 tm? -54.57 -51.22 65.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.52 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 82' ' ' GLU . 53.6 mt -56.96 -40.73 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.194 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.55 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.24 -47.84 84.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -64.87 -35.7 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.694 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.71 -40.3 65.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.698 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.555 HG21 ' OG ' ' B' 1908 ' ' SER . 22.2 t -63.25 -27.7 43.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.015 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -103.07 29.23 5.63 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -62.26 156.56 21.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -134.06 -66.78 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -64.36 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.72 -49.77 0.82 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.385 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -60.29 -43.81 95.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.773 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 147.76 62.79 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.678 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.39 162.87 32.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.695 0.283 . . . . 0.0 110.722 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.402 ' CD1' HD13 ' A' ' 105' ' ' LEU . 13.2 tt -144.92 146.94 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.047 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 t -88.28 134.88 33.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.879 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.28 -30.32 66.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.514 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.83 -53.63 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.356 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.868 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.0 pt-20 -78.77 -40.03 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.093 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 100' ' ' ILE . 34.3 tp -53.32 -40.29 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.537 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.785 ' HA ' HG21 ' A' ' 121' ' ' VAL . 1.1 ttt180 -62.17 -51.46 67.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.121 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -64.26 -44.82 90.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 104' ' ' GLU . 46.6 t -56.73 -60.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 0.0 111.767 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.415 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 4.3 mmt -60.91 -48.26 82.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.297 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 106' ' ' ARG . 67.8 p -65.03 -45.26 86.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 111.654 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.03 -18.31 65.19 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.779 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.0 OUTLIER -117.74 178.42 4.41 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 121.626 0.727 . . . . 0.0 112.593 -179.35 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.681 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 72.16 -130.25 16.08 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.461 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -100.39 38.65 1.46 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 62.14 62.83 1.15 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.409 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD21 ' OE1' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -46.19 121.86 3.59 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.937 -179.049 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -54.06 144.25 19.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.798 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.1 -47.79 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.201 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.43 ' OE1' HD21 ' A' ' 116' ' ' LEU . 8.2 tt0 -59.73 -39.92 86.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.004 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.785 HG21 ' HA ' ' A' ' 106' ' ' ARG . 9.2 p -71.61 -32.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.441 ' HA ' HD11 ' A' ' 125' ' ' ILE . 15.3 m-20 -65.73 -33.64 76.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.327 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.69 -51.98 12.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.465 ' CE ' HG23 ' A' ' 121' ' ' VAL . 4.0 ptt? -55.08 -39.11 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.688 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.0 pt -74.02 -32.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.899 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -40.35 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 111.012 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.38 -28.39 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.448 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 141' ' ' PHE . . . -58.7 -51.56 69.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.551 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 130' ' ' ILE . 1.1 t70 177.25 -59.68 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.458 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 129' ' ' ASP . 3.1 tt 45.05 42.05 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.179 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.1 p-10 -74.33 -162.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.539 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -54.39 152.41 11.71 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.883 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.21 22.92 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.608 0.242 . . . . 0.0 111.411 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 54.5 21.64 21.42 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.358 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -72.4 138.17 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.882 0.341 . . . . 0.0 110.629 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.879 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.8 mt -139.99 102.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.7 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.03 126.6 30.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.578 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -80.33 2.55 24.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 -39.35 15.42 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.925 0.393 . . . . 0.0 110.339 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.58 -41.19 47.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.268 0.556 . . . . 0.0 109.54 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.458 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . 32.8 t80 -61.09 -48.53 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.124 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 138' ' ' TYR . 14.4 p -68.25 -34.23 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -62.11 -54.91 34.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.369 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 2.2 ptm -66.67 -31.96 72.97 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.214 0.321 . . . . 0.0 111.1 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 7.9 ttm -58.2 -31.91 67.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.953 0.406 . . . . 0.0 110.727 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 142' ' ' VAL . 35.6 m -111.47 -14.15 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.843 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 32.0 m -97.09 31.45 2.42 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.757 0.313 . . . . 0.0 111.269 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.1 tttt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.833 179.817 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 25.3 tttp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.658 0.266 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -127.89 133.7 49.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.957 0.408 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -76.75 160.35 29.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.11 -30.85 23.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -68.58 -52.75 28.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.384 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.6 -50.67 69.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.543 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.6 m -53.92 -41.39 48.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.798 0.333 . . . . 0.0 111.433 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.555 ' OG ' HG21 ' A' ' 91' ' ' VAL . 16.0 m -57.95 -35.31 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.017 0.437 . . . . 0.0 110.308 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.779 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.26 -24.05 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.916 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 34.9 mm -62.92 -56.91 14.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 110.245 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.467 HG13 ' N ' ' B' 1912 ' ' ILE . 11.8 p -60.7 -45.0 98.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.638 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.594 HD11 ' CG ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -57.39 -32.05 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.235 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.425 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.6 tt0 -63.63 -41.52 98.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.734 178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -61.76 -33.41 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.313 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.68 99.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.57 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.1 m-85 -59.84 -39.32 84.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.493 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -57.59 -43.8 84.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -72.17 -32.78 67.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.263 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 12.7 t80 -60.4 -56.64 18.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.279 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.27 -30.15 71.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.751 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 11.3 mt -70.94 161.0 31.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 9.3 pttt -177.86 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -62.94 -31.92 73.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 4.6 mttt -117.26 97.1 5.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -133.43 -46.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 1.6 mttt 60.38 31.14 20.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 6.9 tttm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.869 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.847 0.356 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -150.64 74.56 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -106.31 -176.55 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -129.19 31.5 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -70.57 -44.78 66.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.9 m -59.79 -47.25 86.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.569 ' OE1' HG21 ' A' ' 146' ' ' VAL . 4.2 tt0 -59.61 -57.24 13.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.144 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.09 -43.89 95.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.391 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.8 -49.91 59.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.281 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -56.09 -50.68 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 82' ' ' GLU . 17.4 mt -58.02 -34.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 91' ' ' VAL . 11.5 tt0 -73.19 -45.8 54.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.443 . . . . 0.0 110.594 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.5 -47.08 87.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.088 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.663 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.7 OUTLIER -68.44 -35.88 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 0.0 110.65 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.65 -36.94 57.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.568 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.765 HG21 ' OG ' ' B' 1908 ' ' SER . 24.0 t -66.35 -27.79 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.029 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -103.05 29.01 5.76 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -77.86 115.24 17.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.772 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -109.99 -44.34 3.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.173 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.425 ' OD2' HD12 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -59.83 -29.41 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.13 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.49 -55.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.42 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -66.25 -50.1 64.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.874 0.368 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.45 43.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.659 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.425 HD12 ' OD2' ' A' ' 95' ' ' ASP . 6.1 mt -119.6 148.09 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.469 HD11 HD13 ' A' ' 105' ' ' LEU . 16.7 tt -132.25 132.92 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -74.1 133.16 42.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.957 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.14 -34.6 71.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.351 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -52.93 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.429 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.9 pt-20 -77.96 -38.73 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.504 HD11 ' SD ' ' A' ' 109' ' ' MET . 23.4 tp -55.1 -39.37 69.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.354 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.778 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -61.03 -51.35 69.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.306 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.17 -42.67 99.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.593 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 104' ' ' GLU . 26.2 t -56.55 -63.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.975 0.417 . . . . 0.0 111.877 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.58 ' HB3' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -60.54 -48.27 82.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.148 -178.687 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 72.2 p -63.12 -30.89 71.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 111.523 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -77.78 -18.87 55.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.551 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.4 pp -119.55 -177.96 3.5 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 121.607 0.718 . . . . 0.0 112.49 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.636 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 69.95 -129.33 21.1 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.38 -179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.58 38.1 1.58 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt 61.7 62.44 1.29 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.376 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.8 OUTLIER -45.0 115.57 0.92 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.115 -178.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.4 p -56.31 151.26 13.14 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.528 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.421 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -69.34 -31.16 69.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.124 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.77 -49.4 70.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.73 -49.83 74.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.778 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.5 p -64.33 -31.9 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.458 ' HA ' HD11 ' A' ' 125' ' ' ILE . 31.4 t70 -69.36 -31.18 69.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.555 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -78.72 -52.37 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 111.709 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -55.66 -37.43 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.958 -179.386 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.634 ' O ' HG23 ' A' ' 130' ' ' ILE . 13.9 pt -74.27 -44.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -42.41 99.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.191 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -19.42 54.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.798 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.454 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -62.13 -52.0 65.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.612 0.244 . . . . 0.0 111.608 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.24 -54.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.782 0.325 . . . . 0.0 110.505 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.634 HG23 ' O ' ' A' ' 125' ' ' ILE . 19.5 pt 45.37 39.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.112 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.69 142.82 51.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.74 -150.27 49.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.61 -60.75 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -159.98 62.24 0.3 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -119.48 114.64 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.732 0.301 . . . . 0.0 110.719 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.957 HD11 ' HB2' ' A' ' 102' ' ' ALA . 23.5 mt -126.06 111.57 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.43 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -74.99 128.1 34.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.506 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.5 OUTLIER -79.74 0.89 28.71 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.691 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.08 -42.1 12.61 Favored 'General case' 0 C--N 1.335 -0.056 0 CA-C-O 120.992 0.425 . . . . 0.0 110.31 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.37 -36.96 57.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.535 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 51.0 t80 -64.67 -48.08 76.09 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.773 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.752 ' O ' HG22 ' A' ' 146' ' ' VAL . 10.0 p -68.65 -33.49 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -74.05 -39.82 63.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.763 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.518 ' HE2' ' CZ ' ' B' 1919 ' ' TYR . 0.5 OUTLIER -71.06 -31.71 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.248 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.438 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -79.06 -31.56 44.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.618 0.247 . . . . 0.0 111.101 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.8 m -91.17 -29.8 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.78 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 30.33 5.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.795 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 108.22 19.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 14.1 mmtt 60.88 34.35 19.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.5 -40.16 23.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.778 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -70.07 -36.98 75.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.019 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -61.98 -57.03 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.41 ' HA ' HD12 ' B' 1910 ' ' ILE . 11.2 p -53.78 -40.21 42.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.369 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.765 ' OG ' HG21 ' A' ' 91' ' ' VAL . 3.0 m -58.36 -36.36 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.8 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -74.33 -26.73 60.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.299 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.41 HD12 ' HA ' ' B' 1907 ' ' VAL . 43.9 mt -62.52 -55.16 25.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 110.22 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.2 p -59.98 -39.11 79.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.637 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.663 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -60.91 -32.74 53.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.187 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.6 OUTLIER -63.04 -42.98 99.86 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.55 178.699 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -32.89 70.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.365 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.27 -44.54 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.507 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.4 m-85 -57.77 -38.33 75.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -58.0 -46.86 84.55 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.562 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.37 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 144' ' ' MET . 2.3 t80 -61.44 -58.36 8.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.554 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.1 -47.17 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.497 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . 0.482 HD12 ' C ' ' B' 1921 ' ' LEU . 4.2 pp -78.67 175.73 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.169 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . 0.433 ' N ' HD12 ' B' 1921 ' ' LEU . 5.0 pttp -176.79 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -121.97 39.91 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 9.6 mtpp 60.09 75.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 59.4 t 49.29 96.18 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.747 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -153.76 176.54 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.793 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 ptp . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.743 0.306 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -141.51 -68.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.77 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.48 165.68 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.727 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 174.5 -33.52 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.4 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -49.33 -26.42 3.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.014 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m -105.89 -57.64 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 111.342 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.662 ' HG3' HG11 ' A' ' 146' ' ' VAL . 3.0 mt-10 -60.79 -57.56 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.666 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -61.56 -35.63 78.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.665 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.49 -49.36 19.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.766 0.317 . . . . 0.0 111.358 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.998 HD23 HG23 ' A' ' 142' ' ' VAL . 22.7 tp -60.36 -41.64 94.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.3 mt -66.96 -37.21 78.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.604 0.24 . . . . 0.0 110.987 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -45.86 69.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.011 0.434 . . . . 0.0 110.689 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.22 -53.09 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.726 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.778 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.8 OUTLIER -62.81 -35.18 79.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.061 0.458 . . . . 0.0 110.184 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -38.29 37.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 22.0 t -71.11 -22.01 22.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.635 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.13 29.89 7.38 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -52.99 -82.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 80.07 -47.95 0.33 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.944 0.898 . . . . 0.0 111.912 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.405 ' OD2' ' CD2' ' A' ' 135' ' ' HIS . 10.0 t70 -62.62 -30.0 71.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.791 0.329 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.09 -54.58 0.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.319 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -77.16 -41.09 43.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.349 . . . . 0.0 110.792 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 145.44 45.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.687 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 135' ' ' HIS . 5.1 mp -122.24 147.01 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.407 ' CD1' HD13 ' A' ' 105' ' ' LEU . 10.3 tt -124.51 150.0 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.9 t -88.44 134.12 33.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.989 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -68.72 -39.91 80.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.291 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.62 72.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.39 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 108' ' ' VAL . 49.1 mt-10 -76.4 -38.1 56.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.437 HD21 ' HE1' ' A' ' 124' ' ' MET . 33.2 tp -59.43 -29.29 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.706 ' HA ' HG11 ' A' ' 121' ' ' VAL . 8.0 ttt-85 -67.93 -51.61 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.264 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.14 -45.78 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.46 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.9 t -55.95 -61.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.498 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.5 mmt -61.53 -48.36 81.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.229 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 106' ' ' ARG . 69.2 p -64.07 -34.2 77.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.706 0.288 . . . . 0.0 111.357 -179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -76.06 -16.82 59.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.611 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -115.79 -176.75 3.0 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-O 121.262 0.553 . . . . 0.0 111.961 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.402 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.39 -133.23 35.83 Favored Glycine 0 C--N 1.335 0.51 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.28 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -99.36 41.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm 61.89 63.72 1.09 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.618 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.8 HD13 HG22 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -46.53 116.83 1.4 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.042 0.448 . . . . 0.0 111.987 -178.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 p -59.4 137.68 57.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.87 -27.19 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.342 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.01 -48.03 69.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.14 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.34 -34.23 75.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.244 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.8 HG22 HD13 ' A' ' 116' ' ' LEU . 41.1 t -79.31 -32.52 14.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.04 -30.74 65.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.18 -40.55 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.495 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.437 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -70.9 -33.99 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.69 -179.242 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 121' ' ' VAL . 22.8 pt -74.34 -37.27 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -28.46 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -91.22 -21.72 20.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.68 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB3' HG21 ' A' ' 136' ' ' ILE . . . -57.89 -51.28 70.26 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.4 t0 178.42 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.988 0.423 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 125' ' ' ILE . 30.5 mm 66.44 65.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.805 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -113.99 130.43 56.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.993 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.41 7.12 63.34 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.294 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.87 77.23 0.27 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.305 0.552 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 139.17 -22.43 2.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.941 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.611 ' HB3' HD22 ' A' ' 99' ' ' LEU . 16.6 m170 -112.06 121.15 44.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' A' ' 102' ' ' ALA . 24.6 mt -137.05 102.76 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.95 128.6 37.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.611 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.542 ' O ' HG12 ' A' ' 142' ' ' VAL . 8.2 p90 -85.05 7.79 20.2 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -89.44 -39.22 13.52 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.024 0.44 . . . . 0.0 110.16 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.48 -37.75 56.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.466 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 42.2 t80 -65.51 -48.09 73.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.766 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.998 HG23 HD23 ' A' ' 85' ' ' LEU . 13.3 p -65.99 -34.25 69.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.556 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.13 -44.68 59.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.775 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -31.67 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -28.1 44.63 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.41 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.766 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.4 m -97.63 -24.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.664 0.268 . . . . 0.0 111.519 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.0 t -95.73 38.69 1.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.804 0.335 . . . . 0.0 111.063 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.3 tttt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.8 179.847 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.797 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -102.27 120.78 41.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.58 68.07 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.964 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.44 15.54 5.35 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.192 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -54.73 -41.84 70.83 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.742 0.306 . . . . 0.0 111.303 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.97 -46.91 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.7 t -51.08 -51.41 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 111.253 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.554 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER -58.44 -29.62 66.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -74.08 -24.08 59.44 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.019 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.7 mt -70.45 -52.01 32.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.549 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -59.57 -42.04 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.804 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.778 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.5 tt -60.96 -32.35 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.152 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.429 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 3.2 tt0 -62.91 -37.86 88.68 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.596 178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -62.98 -35.28 79.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.973 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.93 97.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.533 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 21.9 m-85 -59.9 -40.58 89.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . 0.77 ' O ' HD23 ' B' 1921 ' ' LEU . 12.1 mtt180 -60.61 -43.41 97.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.154 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -69.73 -32.69 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.252 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.4 -60.74 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.428 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.84 -32.38 72.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . 0.77 HD23 ' O ' ' B' 1917 ' ' ARG . 3.5 mm? -68.61 -174.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.37 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.59 168.72 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 18.9 pttp -98.78 36.76 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . 0.568 HG13 ' O ' ' B' 1925 ' ' VAL . 11.0 p -72.35 110.23 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.028 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 14.4 tptt -69.41 136.16 51.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . 0.404 ' HD2' HG13 ' B' 1925 ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.2 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.96 0.409 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.55 -40.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.18 -168.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -169.6 58.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.682 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.29 -12.5 60.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.028 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.03 -30.82 9.52 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.643 0.258 . . . . 0.0 111.376 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -57.31 4.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -70.35 -31.01 68.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.94 -46.33 36.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.757 0.313 . . . . 0.0 111.49 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.982 HD23 HG23 ' A' ' 142' ' ' VAL . 47.1 tp -64.97 -48.87 72.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.323 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 41.7 mt -59.61 -40.15 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.626 0.25 . . . . 0.0 111.023 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -70.9 -44.23 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 110.742 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.662 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.25 -43.69 95.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.05 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.771 ' CE2' HD11 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.068 0.461 . . . . 0.0 110.622 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -52.61 -37.62 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.573 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.656 HG21 ' OG ' ' B' 1908 ' ' SER . 24.2 t -63.3 -26.46 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.004 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -107.82 29.15 7.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -60.62 141.95 56.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -95.24 -80.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.08 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -176.57 37.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.824 0.345 . . . . 0.0 111.161 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.789 ' O ' HD13 ' A' ' 99' ' ' LEU . . . -135.42 37.9 1.86 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.367 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 t30 63.3 28.03 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 110.954 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' CA ' ' CE2' ' A' ' 138' ' ' TYR . . . 120.45 44.89 0.41 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.834 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 96' ' ' GLY . 8.7 mp -109.79 150.3 28.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.313 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.762 HD11 HD13 ' A' ' 105' ' ' LEU . 16.0 tt -141.47 133.67 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 t -80.69 133.3 35.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.184 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.888 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.89 -32.89 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.24 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -53.03 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.2 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.857 ' O ' HG23 ' A' ' 108' ' ' VAL . 9.7 pt-20 -77.55 -41.86 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.788 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 100' ' ' ILE . 37.2 tp -53.13 -29.74 32.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.48 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.759 ' HA ' HG21 ' A' ' 121' ' ' VAL . 1.8 ttt-85 -68.18 -51.78 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.089 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -65.73 -38.23 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.969 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 104' ' ' GLU . 36.5 t -58.68 -64.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.518 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.545 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.4 -48.23 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.114 -178.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 106' ' ' ARG . 60.6 p -60.95 -43.56 98.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.311 . . . . 0.0 111.477 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.23 -18.19 64.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.637 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.487 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.5 pp -113.5 -177.52 3.15 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.545 0.688 . . . . 0.0 112.174 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.9 -136.03 35.39 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.364 -179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -98.06 43.18 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 61.68 63.66 1.13 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 109' ' ' MET . 0.5 OUTLIER -45.76 118.08 1.7 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.009 0.433 . . . . 0.0 111.901 -179.019 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -57.1 149.56 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.579 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.489 ' HA ' HG12 ' A' ' 121' ' ' VAL . 6.9 m-20 -69.52 -26.46 64.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.365 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.91 -39.63 69.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.718 0.294 . . . . 0.0 111.351 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -72.38 -40.84 66.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.362 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.759 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.8 p -67.23 -32.44 57.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.16 -42.67 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -44.31 96.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -68.44 -46.34 70.12 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' VAL . 20.4 pt -63.76 -35.23 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -35.05 61.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 111.048 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -85.58 -4.68 59.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.089 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -79.31 -51.5 9.35 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -178.4 -68.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.746 0.308 . . . . 0.0 111.007 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 125' ' ' ILE . 31.1 mm 58.17 99.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -176.97 133.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.344 . . . . 0.0 111.238 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.09 100.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.816 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.0 t70 56.27 29.62 15.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.773 0.32 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.84 23.65 65.75 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.72 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.605 ' CG ' HD23 ' A' ' 99' ' ' LEU . 29.3 m170 -65.41 135.43 55.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.669 0.271 . . . . 0.0 110.575 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.888 HD11 ' HB2' ' A' ' 102' ' ' ALA . 14.9 mt -135.61 120.42 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.762 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.28 129.68 34.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.984 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.522 ' O ' HG12 ' A' ' 142' ' ' VAL . 2.2 p90 -83.86 7.39 18.22 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -89.29 -42.67 11.46 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.087 0.47 . . . . 0.0 110.447 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -76.96 -36.77 56.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.416 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -65.58 -48.91 70.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.878 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.982 HG23 HD23 ' A' ' 85' ' ' LEU . 14.5 p -64.59 -33.77 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -72.67 -44.21 62.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.751 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -32.02 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.437 ' HB2' ' CD1' ' B' 1919 ' ' TYR . 0.1 OUTLIER -76.46 -31.01 57.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.651 0.262 . . . . 0.0 111.578 -179.309 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 142' ' ' VAL . 14.6 p -95.81 -35.14 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.118 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.1 24.5 5.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.926 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.879 0.371 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.77 174.03 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . 0.416 ' O ' HG23 ' B' 1907 ' ' VAL . 8.7 mmtp -96.86 39.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.55 -18.82 54.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.539 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -54.28 -65.59 0.55 Allowed 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.673 0.273 . . . . 0.0 111.503 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -31.28 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.709 ' O ' HG22 ' B' 1910 ' ' ILE . 42.8 t -61.19 -63.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.999 0.428 . . . . 0.0 110.253 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.662 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -57.14 -24.51 54.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.003 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -81.75 -23.2 36.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.554 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.761 HD13 ' O ' ' B' 1910 ' ' ILE . 0.2 OUTLIER -74.41 -36.78 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.459 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.405 HG13 ' N ' ' B' 1912 ' ' ILE . 9.3 p -73.52 -41.59 56.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.638 HD11 ' CD2' ' A' ' 89' ' ' PHE . 2.1 tt -60.68 -30.94 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.056 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.449 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 2.5 tt0 -66.61 -43.34 85.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -32.72 71.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.025 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.25 99.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.52 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 20.3 m-85 -60.15 -34.92 74.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.078 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -39.95 93.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.949 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -74.57 -35.72 63.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.195 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.437 ' CD1' ' HB2' ' A' ' 145' ' ' MET . 3.7 t80 -60.37 -51.24 70.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.177 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -48.71 62.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 34.2 mt -72.76 167.01 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.77 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -131.27 166.53 20.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.02 80.21 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.7 mttt -63.72 -168.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 86.2 t 51.22 94.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.467 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 40.9 mttt -132.11 117.43 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 4.4 tptt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.972 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.849 0.356 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.5 -73.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.05 171.93 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -127.63 0.0 6.15 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.123 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.89 -30.61 69.12 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.752 0.31 . . . . 0.0 111.221 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 m -109.31 -49.79 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.234 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 86' ' ' ILE . 11.5 tt0 -54.31 -57.19 12.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.852 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -67.01 -46.4 74.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 111.552 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -60.78 -49.97 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' A' ' 89' ' ' PHE . 2.4 tm? -55.83 -54.04 49.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.417 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.6 mt -54.04 -38.62 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.676 0.274 . . . . 0.0 111.203 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 91' ' ' VAL . 4.2 tm-20 -71.4 -45.42 62.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.974 0.416 . . . . 0.0 110.667 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.605 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.58 -51.9 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.24 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.587 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.01 -35.99 82.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.085 0.469 . . . . 0.0 110.723 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -54.15 -37.44 64.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.73 HG21 ' CB ' ' B' 1908 ' ' SER . 18.6 t -59.02 -28.61 39.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.153 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -109.7 28.85 8.15 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.43 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.27 120.52 16.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.689 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -115.07 -47.0 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.243 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -34.03 71.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.045 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 104.95 -55.13 0.58 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.543 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.59 -32.22 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.718 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.35 43.84 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.623 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 135' ' ' HIS . 3.3 mp -123.48 158.6 30.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.709 0.29 . . . . 0.0 110.773 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' A' ' 105' ' ' LEU . 14.0 tt -138.7 142.64 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 135.92 42.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.057 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -69.93 -42.75 72.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -52.82 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.7 mm-40 -68.85 -38.42 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.718 HD21 ' HE1' ' A' ' 124' ' ' MET . 16.5 tp -59.33 -38.59 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.856 ' HA ' HG21 ' A' ' 121' ' ' VAL . 48.5 ttp85 -61.19 -51.76 67.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -60.49 -42.17 95.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.693 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.1 t -58.92 -65.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.913 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.449 ' HE3' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.97 -41.77 97.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 106' ' ' ARG . 65.4 p -67.48 -29.87 69.42 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.187 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -81.33 -16.49 52.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.622 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.506 ' CD1' ' HB1' ' B' 1909 ' ' ALA . 4.2 pp -116.31 -176.46 2.96 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.372 0.606 . . . . 0.0 111.844 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 66.77 -135.44 32.84 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.88 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -99.99 43.02 1.08 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt 62.12 64.17 1.01 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.469 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -46.2 130.55 10.37 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.875 -179.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.522 ' N ' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -68.04 151.32 47.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.341 -179.316 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.437 ' HA ' HG12 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -68.53 -29.64 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.987 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -47.96 66.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.048 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.856 HG21 ' HA ' ' A' ' 106' ' ' ARG . 13.6 p -80.67 -32.58 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -72.48 -32.2 66.01 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -35.9 42.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.428 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.718 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.51 -33.67 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.506 -179.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.694 HG23 ' O ' ' A' ' 121' ' ' VAL . 21.8 pt -74.67 -36.97 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.355 . . . . 0.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.653 ' HA ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -68.15 -32.42 72.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.734 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -90.54 -12.49 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.716 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 141' ' ' PHE . . . -71.93 -52.32 17.8 Favored 'General case' 0 C--N 1.334 -0.081 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.2 t0 178.07 -61.33 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.499 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.691 HG23 ' O ' ' A' ' 125' ' ' ILE . 36.5 pt 43.69 60.51 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.301 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -119.54 172.2 7.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.979 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.45 -123.13 32.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -98.17 36.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.773 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.4 21.56 47.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.768 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.458 ' HB3' HD22 ' A' ' 99' ' ' LEU . 30.2 m170 -77.93 136.77 38.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.728 0.299 . . . . 0.0 110.493 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 1.057 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.5 mt -135.34 103.34 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.674 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -69.07 121.76 17.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.492 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.69 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.7 OUTLIER -72.57 -6.62 45.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -81.04 -43.09 20.08 Favored 'General case' 0 N--CA 1.458 -0.066 0 CA-C-O 120.779 0.323 . . . . 0.0 110.466 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -74.24 -38.26 63.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 109.85 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 128' ' ' ALA . 36.3 t80 -60.52 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.994 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 138' ' ' TYR . 14.5 p -69.08 -36.1 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -57.96 -53.49 57.64 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -32.65 65.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.407 ' CG ' ' CD1' ' B' 1919 ' ' TYR . 5.8 ttm -57.94 -29.42 65.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.423 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 142' ' ' VAL . 34.9 m -116.08 -40.77 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.906 0.384 . . . . 0.0 111.415 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.77 16.46 14.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.649 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.037 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 4.0 mptt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.67 135.1 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.003 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . 0.493 ' O ' HG23 ' B' 1907 ' ' VAL . 9.5 mmtp -109.12 122.66 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.785 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -31.48 30.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . 0.483 ' HA ' HG11 ' A' ' 91' ' ' VAL . 2.7 mt-10 -58.04 -51.63 68.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.308 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' 1909 ' ' ALA . 26.4 pt-20 -56.51 -44.51 80.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.2 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' 1903 ' ' LYS . 24.4 t -48.85 -53.02 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.169 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.73 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -58.99 -28.63 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.189 178.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.506 ' HB1' ' CD1' ' A' ' 112' ' ' LEU . . . -73.3 -29.88 63.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.129 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.91 -53.25 36.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.736 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.2 p -57.26 -42.15 79.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.605 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -59.75 -33.28 51.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.088 0.47 . . . . 0.0 110.377 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.413 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.5 OUTLIER -63.56 -39.01 93.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.736 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.329 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.12 96.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.482 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.413 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.6 m-85 -58.11 -53.65 55.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.172 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -56.9 -34.58 68.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -33.57 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.804 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.407 ' CD1' ' CG ' ' A' ' 145' ' ' MET . 22.4 t80 -65.35 -47.38 76.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.371 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.2 mp -71.71 -29.41 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.23 -92.06 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.793 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 36.2 mttm 43.98 29.71 0.35 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.49 -74.41 0.57 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.149 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.5 pttm -77.31 68.5 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.082 0.467 . . . . 0.0 111.067 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t -100.34 -32.67 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.78 -80.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 28.8 mttt . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.86 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.92 -63.22 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.694 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 59.06 172.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -176.93 37.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.84 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.9 -31.36 70.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.985 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m -102.13 -46.38 4.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.193 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 86' ' ' ILE . 21.3 tt0 -57.06 -57.17 13.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.539 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -64.64 -43.61 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.684 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.87 -49.56 65.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.636 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 85' ' ' LEU . 2.6 tm? -56.49 -51.34 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.397 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.703 HG22 ' HE2' ' A' ' 90' ' ' LYS . 32.7 mt -54.85 -41.38 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.338 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -73.28 -43.78 60.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.939 0.399 . . . . 0.0 110.818 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' B' 1912 ' ' ILE . . . -60.64 -45.8 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.236 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -70.23 -35.37 73.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.056 0.455 . . . . 0.0 110.66 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.703 ' HE2' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -51.51 -42.3 61.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.934 179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.9 t -60.61 -30.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.851 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' B' 1909 ' ' ALA . 43.4 m-85 -106.32 28.85 7.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.18 -95.3 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 54.19 20.97 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 99' ' ' LEU . 2.7 m-20 -97.77 -19.69 18.03 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.052 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.89 -79.1 0.2 Allowed Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.186 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.19 -30.34 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.807 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.608 ' C ' HD12 ' A' ' 99' ' ' LEU . . . 168.51 52.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.252 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.867 HD23 ' HB3' ' A' ' 135' ' ' HIS . 9.0 mp -121.06 165.81 14.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 111.633 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.46 156.81 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -92.31 139.68 30.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.89 -47.44 59.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -48.46 81.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.233 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 108' ' ' VAL . 16.1 mt-10 -70.27 -41.44 73.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.21 -39.52 86.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.818 ' HA ' HG21 ' A' ' 121' ' ' VAL . 19.5 ttm180 -58.82 -51.3 70.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.259 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -62.41 -49.22 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 104' ' ' GLU . 22.6 t -55.47 -58.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.952 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.1 mmt -60.35 -47.98 83.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.167 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 106' ' ' ARG . 82.5 p -65.2 -38.1 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.696 0.284 . . . . 0.0 111.593 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.84 -15.69 61.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.474 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.3 pp -117.26 -176.18 2.95 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.351 0.596 . . . . 0.0 112.231 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.464 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 65.33 -132.08 35.65 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.408 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.32 40.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.41 61.93 1.2 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.525 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -45.92 119.53 2.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.972 -179.044 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.1 p -56.88 150.27 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.486 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.38 -30.26 68.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -70.03 -49.1 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.346 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.92 -44.66 94.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.818 HG21 ' HA ' ' A' ' 106' ' ' ARG . 10.6 p -65.59 -33.01 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.416 ' HA ' HD11 ' A' ' 125' ' ' ILE . 8.2 t0 -63.92 -34.05 77.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.274 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -71.07 -51.41 25.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.192 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.2 ptm -58.91 -45.59 89.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.836 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.3 pt -66.14 -29.83 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.49 -40.89 56.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.68 -4.87 58.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.089 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.47 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -78.5 -51.33 10.14 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.06 -46.82 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 125' ' ' ILE . 1.1 pt 38.92 -89.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.31 170.94 0.28 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -58.42 -42.06 95.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.702 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -30.57 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.19 -18.3 57.64 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.026 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.867 ' HB3' HD23 ' A' ' 99' ' ' LEU . 4.8 m170 -62.36 153.71 30.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.823 0.312 . . . . 0.0 110.643 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.868 HD11 ' HB2' ' A' ' 102' ' ' ALA . 13.1 mt -146.13 111.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.669 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.754 ' ND2' HD11 ' A' ' 99' ' ' LEU . 5.2 m120 -78.04 122.07 25.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.276 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.589 ' O ' HG12 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -75.05 -3.86 35.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -87.38 -38.99 15.68 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.9 0.381 . . . . 0.0 110.353 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.56 -36.95 57.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.756 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 12.6 t80 -65.6 -49.01 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.893 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.779 ' O ' HG22 ' A' ' 146' ' ' VAL . 13.0 p -68.66 -33.04 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.685 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.51 -54.04 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.689 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -31.29 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.793 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.424 ' HG3' ' CD1' ' B' 1919 ' ' TYR . 9.6 ttm -61.56 -40.53 95.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 142' ' ' VAL . 30.8 m -99.37 -29.73 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.533 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.3 t -98.58 35.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.994 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -52.49 47.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -139.68 166.47 24.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -70.57 64.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 111.242 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.89 -53.61 20.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.95 -43.79 77.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 23.1 t -52.88 -50.74 42.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.263 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.523 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.7 m -57.26 -30.55 64.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.49 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.51 ' O ' HG22 ' B' 1912 ' ' ILE . . . -72.97 -27.36 61.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.98 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 22.1 mt -66.6 -53.27 37.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.737 0.304 . . . . 0.0 110.687 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -58.58 -39.62 76.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.901 0.381 . . . . 0.0 110.816 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.701 HD12 ' CB ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -60.68 -34.68 59.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.368 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.433 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -62.54 -39.63 94.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.705 178.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -61.12 -33.36 73.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.148 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.93 87.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 11.1 m-85 -58.19 -35.32 71.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . 0.49 ' O ' HD12 ' B' 1921 ' ' LEU . 17.9 ttt85 -59.87 -46.93 87.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.493 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.48 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.469 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 24.2 t80 -58.59 -62.81 1.58 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.762 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.62 -30.76 68.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . 0.49 HD12 ' O ' ' B' 1917 ' ' ARG . 0.8 OUTLIER -75.22 65.52 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.739 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.9 -177.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.753 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 61.02 -166.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.64 119.91 10.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -99.56 -37.32 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.97 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.38 36.65 3.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.3 mtpt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.949 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.6 mmt . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.93 101.4 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -178.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -112.31 -177.7 3.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.97 -22.28 66.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.541 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -101.66 -45.82 5.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.632 0.253 . . . . 0.0 111.509 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.57 -57.31 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -62.56 -41.74 99.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.15 -45.94 62.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.542 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.071 HD23 HG23 ' A' ' 142' ' ' VAL . 20.9 tp -60.13 -48.51 81.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.5 mt -60.54 -39.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 110.8 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.49 -50.42 73.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.808 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.6 OUTLIER -64.23 -35.91 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.201 0.524 . . . . 0.0 110.472 179.528 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -38.72 58.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.735 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.422 HG12 ' OE1' ' B' 1905 ' ' GLU . 18.9 t -59.2 -31.17 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.789 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -102.49 29.12 5.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -85.42 93.24 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.575 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -19.13 11.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.851 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -38.95 78.66 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.826 0.346 . . . . 0.0 111.101 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 133.69 -69.02 0.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.563 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -76.48 -35.75 58.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.774 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.5 43.87 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.693 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.403 HD22 ' HB3' ' A' ' 135' ' ' HIS . 5.5 mp -117.65 166.63 12.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.978 0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.8 tt -144.18 150.03 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.83 135.21 35.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.024 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -70.85 -33.31 70.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.261 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.55 -53.3 59.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.205 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.864 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -73.75 -38.47 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.88 -33.14 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.807 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -65.62 -50.55 64.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.737 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -65.0 -43.4 92.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.29 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 104' ' ' GLU . 35.5 t -58.79 -59.98 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.632 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.476 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.2 mmt -60.78 -48.35 82.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.075 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 106' ' ' ARG . 75.2 p -62.77 -47.93 81.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 111.212 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -63.13 -17.85 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.807 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 113' ' ' GLY . 3.8 pp -117.55 -175.62 2.85 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.456 0.646 . . . . 0.0 112.285 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.66 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 66.7 -134.09 32.49 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.278 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -99.1 41.96 1.12 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.2 mmtm 61.83 62.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.624 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -47.33 117.94 1.97 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.822 -179.157 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.8 p -56.84 152.66 12.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.516 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -69.53 -28.98 66.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.304 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.34 -47.97 45.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.27 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.12 -41.88 93.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.222 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.807 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.6 p -68.25 -32.8 57.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.212 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -68.94 -40.07 79.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.605 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.29 -52.11 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.456 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.622 ' HE2' HG23 ' A' ' 121' ' ' VAL . 4.4 ptt? -60.16 -50.51 73.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.88 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 121' ' ' VAL . 18.8 pt -58.77 -27.48 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 0.0 111.62 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -42.83 62.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.04 -4.77 58.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.859 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.451 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -70.11 -52.01 27.11 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 176.52 -63.85 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.982 0.42 . . . . 0.0 110.332 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 125' ' ' ILE . 1.3 pt 38.85 45.44 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.755 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -55.73 -56.71 17.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.485 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -95.86 31.0 7.66 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.662 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.21 28.85 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -167.76 -57.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.437 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.403 ' HB3' HD22 ' A' ' 99' ' ' LEU . 35.1 m170 -67.11 133.74 50.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.703 0.287 . . . . 0.0 110.474 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 1.024 HD11 ' HB2' ' A' ' 102' ' ' ALA . 23.6 mt -139.68 113.01 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 111.673 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -79.67 125.38 29.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.289 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.612 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.5 p90 -76.71 -0.99 25.68 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -87.17 -40.7 14.36 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.257 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.43 -36.27 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 128' ' ' ALA . 8.9 t80 -65.3 -48.15 74.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.904 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 1.071 HG23 HD23 ' A' ' 85' ' ' LEU . 10.3 p -67.95 -36.21 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.038 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -59.16 -53.07 62.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.579 ' HE3' ' HA ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -71.98 -31.83 66.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.625 -179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.579 ' HA ' ' HE3' ' A' ' 144' ' ' MET . 1.7 ttp -58.39 -39.26 79.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.809 0.337 . . . . 0.0 111.201 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 142' ' ' VAL . 4.5 m -104.31 -29.07 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.385 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.2 t -106.8 39.24 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.965 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 13.7 tttm . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.026 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 4.9 tttp . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.828 0.347 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -108.15 -42.42 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.58 138.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -70.34 71.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.732 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . 0.422 ' OE1' HG12 ' A' ' 91' ' ' VAL . 3.5 mm-40 -69.7 -54.43 13.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.607 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.95 -37.65 77.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.27 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.739 ' O ' HG22 ' B' 1910 ' ' ILE . 37.5 t -58.77 -60.86 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.631 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.3 m -55.01 -24.46 24.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.571 ' O ' HG22 ' B' 1912 ' ' ILE . . . -78.54 -27.91 46.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.66 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.838 HD13 ' O ' ' B' 1910 ' ' ILE . 0.1 OUTLIER -74.67 -34.98 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.784 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 8.3 p -70.66 -38.75 74.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.808 HD11 ' CD2' ' A' ' 89' ' ' PHE . 3.0 tt -63.23 -32.85 57.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.837 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.444 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 5.6 tt0 -62.7 -40.03 95.86 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.464 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -60.68 -33.75 73.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.041 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -59.11 -48.3 82.11 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.472 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.1 m-85 -56.14 -39.27 72.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.699 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -59.4 -39.32 83.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.203 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -73.06 -34.09 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 145' ' ' MET . 20.3 t80 -58.94 -59.78 4.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.583 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.8 mp -64.72 -35.37 80.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.675 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 96.3 mt -85.14 58.97 5.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.95 37.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -89.27 88.25 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.798 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . 0.638 ' O ' HG12 ' B' 1925 ' ' VAL . 7.8 tppt? -62.73 -62.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . 0.638 HG12 ' O ' ' B' 1924 ' ' LYS . 6.9 p 53.36 163.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 O-C-N 123.798 0.687 . . . . 0.0 112.039 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . 0.423 ' N ' HG22 ' B' 1925 ' ' VAL . 0.0 OUTLIER -56.58 135.62 54.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.223 -179.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.906 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.5 mtt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.785 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -128.55 -52.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.814 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 58.66 -178.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 -173.48 36.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -68.6 -27.53 66.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.233 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m -99.16 -41.68 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -55.69 -57.3 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.459 -179.558 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.91 -47.93 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.699 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.4 -48.08 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.464 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.58 HD21 ' CD2' ' A' ' 89' ' ' PHE . 2.5 tm? -57.51 -49.7 75.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 82' ' ' GLU . 22.8 mt -58.39 -40.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.697 0.284 . . . . 0.0 111.162 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -69.91 -47.39 62.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.042 0.448 . . . . 0.0 110.6 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.24 -51.73 68.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.973 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.638 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.1 OUTLIER -62.68 -35.83 80.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.115 0.483 . . . . 0.0 110.326 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -50.89 -42.66 59.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.713 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.428 HG21 ' OG ' ' B' 1908 ' ' SER . 22.2 t -60.61 -26.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.022 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -111.27 26.86 10.24 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.22 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -81.4 -102.63 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.637 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 51.54 23.18 1.76 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -94.55 -23.05 17.83 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.123 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 165.5 -62.39 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.557 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.536 ' H ' HD12 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -152.6 28.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.641 0.258 . . . . 0.0 111.056 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.42 41.55 0.53 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.707 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.657 HD22 ' HB3' ' A' ' 135' ' ' HIS . 1.8 mp -123.89 165.28 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.429 HD13 ' CE1' ' A' ' 89' ' ' PHE . 4.7 tt -144.57 143.23 23.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.115 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.27 136.95 33.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.792 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.08 -35.13 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.282 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.47 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.238 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.892 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 mm-40 -78.13 -36.18 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.609 HD21 ' HE1' ' A' ' 124' ' ' MET . 30.7 tp -58.28 -37.76 75.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.231 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.812 ' HA ' HG21 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -61.0 -51.3 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.68 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -63.16 -45.32 92.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.335 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 104' ' ' GLU . 23.6 t -56.79 -61.5 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.899 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.41 ' HG2' HD12 ' A' ' 105' ' ' LEU . 13.5 mmt -59.91 -48.26 82.44 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 106' ' ' ARG . 67.4 p -64.39 -40.2 95.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 111.384 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -72.09 -13.81 61.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.917 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 113' ' ' GLY . 4.3 pp -117.09 -175.63 2.83 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.398 0.618 . . . . 0.0 112.154 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.5 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 63.47 -134.89 41.96 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.239 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -98.68 43.33 1.06 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 61.65 61.27 1.48 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.639 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 117' ' ' THR . 0.5 OUTLIER -46.59 125.37 6.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.016 -179.07 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.406 ' N ' HD23 ' A' ' 116' ' ' LEU . 1.2 p -61.18 151.93 30.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.399 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' HG12 ' A' ' 121' ' ' VAL . 14.3 t70 -68.97 -31.01 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.946 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -47.42 69.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.87 -39.61 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.812 HG21 ' HA ' ' A' ' 106' ' ' ARG . 11.9 p -78.36 -32.59 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.077 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -72.26 -30.09 64.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -79.64 -36.05 38.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.631 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.609 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -75.29 -33.69 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.688 -179.303 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' VAL . 18.6 pt -74.58 -42.99 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.508 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -30.56 70.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.995 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.68 -25.17 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.315 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.2 70.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.633 0.254 . . . . 0.0 111.413 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 168.94 -56.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.801 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.533 HD11 ' C ' ' A' ' 125' ' ' ILE . 32.3 mm 68.39 -71.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t0 55.71 -167.85 0.1 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.59 173.21 45.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.45 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.687 0.279 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 155.01 66.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.577 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.657 ' HB3' HD22 ' A' ' 99' ' ' LEU . 30.3 m170 -140.94 116.97 10.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.792 HD11 ' HB2' ' A' ' 102' ' ' ALA . 20.6 mt -119.76 109.33 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.345 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.629 ' OD1' HD23 ' A' ' 99' ' ' LEU . 1.3 m120 -68.89 127.05 31.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.54 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.436 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -82.45 4.91 22.32 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -89.2 -39.49 13.51 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.62 -41.4 46.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.419 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.446 ' CE2' ' CE ' ' A' ' 145' ' ' MET . 45.6 t80 -63.44 -46.49 86.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.942 179.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.539 ' O ' HG22 ' A' ' 146' ' ' VAL . 8.7 p -66.37 -34.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 110.678 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -70.2 -41.98 72.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.887 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.451 ' CE ' ' CE1' ' B' 1919 ' ' TYR . 1.8 ptm -71.44 -33.54 69.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.604 ' HG3' HG13 ' A' ' 146' ' ' VAL . 13.1 ptp -69.58 -35.34 75.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.604 HG13 ' HG3' ' A' ' 145' ' ' MET . 30.0 m -93.4 -44.34 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 111.235 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.448 ' N ' HG23 ' A' ' 146' ' ' VAL . 0.2 OUTLIER -84.8 -3.95 58.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.965 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -60.33 153.88 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.84 106.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -35.64 24.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.77 -47.58 62.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.673 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.44 -54.59 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 9.4 p -48.82 -41.19 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 111.294 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.531 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 1.5 m -61.42 -36.01 79.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.307 0.575 . . . . 0.0 109.568 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.536 ' O ' HG22 ' B' 1912 ' ' ILE . . . -73.22 -26.22 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.606 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 39.9 mm -60.95 -51.49 72.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 120.703 0.287 . . . . 0.0 110.315 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.42 HG12 ' O ' ' B' 1908 ' ' SER . 11.3 p -64.22 -36.83 78.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.869 0.366 . . . . 0.0 110.332 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.638 HD11 ' CG ' ' A' ' 89' ' ' PHE . 1.1 tt -63.21 -33.63 62.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.91 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.43 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.0 OUTLIER -64.0 -40.58 96.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.537 178.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -33.69 74.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.849 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.126 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 23.1 m-85 -61.72 -36.29 80.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.992 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -59.47 -43.31 93.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.36 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -74.14 -29.13 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.331 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.451 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 6.2 t80 -63.61 -43.77 95.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.256 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -51.02 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.024 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.76 -63.63 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 4.4 ttpp 63.33 152.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.5 129.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.5 tttp -154.77 83.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.01 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -96.77 100.38 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 22.6 mttp 61.94 115.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 9.6 mttp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.829 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.793 0.33 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.8 93.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.46 176.96 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -146.38 32.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -63.15 -28.02 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.533 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -102.27 -32.62 9.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.325 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.8 tt0 -61.45 -56.93 14.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.248 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -70.12 -29.67 66.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.367 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.69 -50.28 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.194 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.929 HD23 HG23 ' A' ' 142' ' ' VAL . 28.4 tp -59.98 -49.0 79.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.175 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 82' ' ' GLU . 26.7 mt -59.66 -38.51 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.937 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.54 -46.35 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.414 . . . . 0.0 110.813 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.44 -45.68 92.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.75 ' CD2' HD11 ' B' 1912 ' ' ILE . 0.7 OUTLIER -65.5 -35.55 81.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.116 0.484 . . . . 0.0 110.436 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.15 -39.97 63.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.424 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.38 -29.02 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.71 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -103.21 29.38 5.59 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -80.24 116.88 20.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.778 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -112.69 -36.84 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.722 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -63.39 -28.08 69.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.5 -48.05 1.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.41 -43.49 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.423 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 148.77 46.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.71 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 99' ' ' LEU . 4.5 mp -125.66 153.73 43.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.725 0.298 . . . . 0.0 110.769 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 105' ' ' LEU . 11.7 tt -135.59 142.23 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.271 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.21 135.45 36.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.955 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.16 -40.29 71.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.216 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.98 -53.07 62.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.434 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.867 ' O ' HG23 ' A' ' 108' ' ' VAL . 23.9 mt-10 -72.59 -40.97 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.614 HD21 ' HE1' ' A' ' 124' ' ' MET . 46.2 tp -57.97 -28.49 64.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.398 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.764 ' HA ' HG21 ' A' ' 121' ' ' VAL . 52.3 ttp180 -70.33 -51.74 27.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.338 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -63.74 -36.73 84.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.194 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 104' ' ' GLU . 41.4 t -63.85 -63.61 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -59.97 -45.64 92.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.089 -178.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 106' ' ' ARG . 73.2 p -63.88 -36.59 84.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 111.371 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -73.36 -16.9 61.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.414 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.51 HD11 ' HB1' ' B' 1909 ' ' ALA . 4.0 pp -115.4 -177.1 3.06 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-O 121.457 0.646 . . . . 0.0 112.214 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.93 -134.3 37.34 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.42 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -98.37 42.79 1.08 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 61.65 61.25 1.48 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.576 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.549 ' O ' HG22 ' A' ' 110' ' ' THR . 0.4 OUTLIER -45.77 117.94 1.65 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.052 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.4 p -60.94 153.59 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.124 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.473 ' HA ' HG12 ' A' ' 121' ' ' VAL . 19.9 t0 -68.72 -29.08 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.73 -48.22 69.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -61.75 -41.83 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.188 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.764 HG21 ' HA ' ' A' ' 106' ' ' ARG . 12.6 p -76.07 -32.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.62 -30.8 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.987 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -78.24 -37.59 44.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.606 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.614 ' HE1' HD21 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -75.11 -33.98 61.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.675 -179.416 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.722 HG23 ' O ' ' A' ' 121' ' ' VAL . 20.7 pt -74.36 -36.3 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 111.669 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -29.31 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -21.58 21.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.613 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.67 68.8 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' O ' HG12 ' A' ' 130' ' ' ILE . 0.1 OUTLIER 170.48 -63.82 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.544 HG13 ' N ' ' A' ' 131' ' ' ASP . 4.1 pt 63.3 -51.27 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.544 ' N ' HG13 ' A' ' 130' ' ' ILE . 2.3 t70 57.03 50.99 11.12 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.555 0.616 . . . . 0.0 111.081 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.05 33.71 8.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.35 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.01 87.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 0.0 110.766 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -178.43 -121.34 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.594 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -62.84 145.48 54.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.77 0.319 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.955 HD11 ' HB2' ' A' ' 102' ' ' ALA . 28.2 mt -141.75 105.52 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.399 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.58 130.68 43.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.294 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.519 ' O ' HG12 ' A' ' 142' ' ' VAL . 1.1 p90 -84.18 6.65 21.73 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -41.67 12.17 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.981 0.419 . . . . 0.0 110.347 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -76.87 -36.22 56.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.671 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -66.77 -49.19 66.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.8 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.929 HG23 HD23 ' A' ' 85' ' ' LEU . 14.1 p -64.33 -36.58 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.494 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -72.99 -42.72 63.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.857 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.473 ' HE3' ' C ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -71.77 -31.93 67.14 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.009 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -28.73 54.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.621 0.248 . . . . 0.0 111.645 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 142' ' ' VAL . 14.1 p -99.12 -35.66 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 111.279 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.52 24.57 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.046 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.818 0.342 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.17 36.03 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.998 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -98.82 -33.38 10.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -83.28 -32.57 26.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.648 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -72.67 -37.09 68.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.726 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -66.57 -49.5 66.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 14.6 m -54.14 -45.4 66.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.844 0.354 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.41 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 55.8 p -59.64 -32.03 70.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.183 0.516 . . . . 0.0 109.898 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 112' ' ' LEU . . . -75.14 -18.71 60.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.137 179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.94 -47.55 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-O 120.883 0.373 . . . . 0.0 110.068 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.1 p -65.31 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.939 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 89' ' ' PHE . 3.3 tt -62.15 -33.21 57.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 121.115 0.483 . . . . 0.0 110.065 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.436 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -61.99 -43.38 98.95 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.347 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -28.68 68.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.215 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -64.13 -44.56 91.83 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.217 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 19.0 m-85 -59.19 -34.86 72.63 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.476 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -60.43 -49.97 75.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -33.73 76.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.398 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.441 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 10.8 t80 -59.1 -49.96 75.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.541 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 1.6 mp -75.14 -57.67 3.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -168.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.733 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 5.8 tttt 65.95 44.1 2.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 59.58 109.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 4.0 tptt -115.84 120.83 40.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . 0.496 HG12 ' H ' ' B' 1927 ' ' LYS . 21.5 t -109.67 146.75 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -36.48 45.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . 0.496 ' H ' HG12 ' B' 1925 ' ' VAL . 14.8 tttm . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.6 mmt . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.836 0.35 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.1 121.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.545 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -107.21 30.14 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.245 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.58 21.82 7.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.54 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.82 -28.35 64.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.688 0.28 . . . . 0.0 111.221 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.9 m -98.39 -48.47 5.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.33 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.486 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -56.32 -57.51 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.584 -179.617 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.95 -46.73 86.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.637 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.81 -50.28 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.525 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.565 HD13 ' C ' ' A' ' 85' ' ' LEU . 2.6 tm? -57.18 -53.09 62.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.443 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 82' ' ' GLU . 29.8 mt -55.14 -39.62 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.381 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -72.85 -42.9 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.138 0.494 . . . . 0.0 110.761 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' B' 1908 ' ' SER . . . -60.07 -45.55 92.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.967 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.644 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.5 OUTLIER -69.26 -35.31 75.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.671 179.833 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -51.39 -42.47 61.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.912 179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.2 t -59.53 -27.36 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' CZ ' ' OG ' ' B' 1908 ' ' SER . 52.2 m-85 -101.07 29.12 4.82 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.022 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -59.3 141.39 54.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -101.25 -82.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -177.91 37.56 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.792 0.33 . . . . 0.0 111.049 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.757 ' HA3' HD12 ' A' ' 99' ' ' LEU . . . -138.09 45.63 1.04 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.496 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 58.79 30.18 19.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.791 -179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.441 ' CA ' ' CZ ' ' A' ' 138' ' ' TYR . . . 112.17 48.24 0.67 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.407 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.757 HD12 ' HA3' ' A' ' 96' ' ' GLY . 28.1 mt -112.9 152.88 28.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 111.05 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.6 tt -145.76 133.8 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -74.53 138.49 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.004 ' HB2' HD11 ' A' ' 136' ' ' ILE . . . -71.25 -36.96 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.262 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -53.04 62.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.263 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.865 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -73.73 -38.93 64.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.959 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 37.9 tp -57.57 -31.88 66.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.816 ' HA ' HG21 ' A' ' 121' ' ' VAL . 8.7 ttp180 -68.47 -51.23 45.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.78 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -63.65 -44.93 92.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.349 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 104' ' ' GLU . 38.3 t -56.96 -61.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.755 -179.424 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.441 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.2 mmt -60.92 -48.23 82.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.189 -178.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 106' ' ' ARG . 70.8 p -64.53 -38.77 92.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.603 -179.377 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -71.31 -17.51 62.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.725 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' B' 1909 ' ' ALA . 1.3 pp -118.58 179.48 4.11 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-O 121.516 0.674 . . . . 0.0 112.267 -179.489 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.655 ' N ' HD12 ' A' ' 112' ' ' LEU . . . 71.78 -129.83 16.58 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.227 -179.311 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -101.42 39.21 1.46 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm 62.23 61.86 1.25 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.461 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.541 HD21 ' OE1' ' A' ' 120' ' ' GLU . 0.4 OUTLIER -45.92 119.01 2.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.977 -179.015 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.4 p -56.13 147.76 19.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.618 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.36 -27.12 65.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.228 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -71.78 -48.43 46.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.541 ' OE1' HD21 ' A' ' 116' ' ' LEU . 3.9 tt0 -59.92 -44.21 94.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.816 HG21 ' HA ' ' A' ' 106' ' ' ARG . 7.1 p -65.25 -32.54 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -65.31 -36.66 84.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.07 -52.21 37.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.631 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.698 ' HE2' HG23 ' A' ' 121' ' ' VAL . 3.7 ptt? -60.19 -46.07 90.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.796 -179.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 121' ' ' VAL . 19.3 pt -63.89 -27.59 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.755 0.312 . . . . 0.0 111.713 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.47 -42.39 59.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.77 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -81.45 -23.06 37.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.445 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' ' 136' ' ' ILE . . . -58.67 -51.61 69.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.656 0.265 . . . . 0.0 111.479 -179.564 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.469 ' O ' HG22 ' A' ' 130' ' ' ILE . 1.0 OUTLIER 172.08 -58.68 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.348 179.838 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 129' ' ' ASP . 2.9 tt 45.39 30.36 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.035 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -89.61 170.91 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 61.58 -152.17 42.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.79 55.04 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.101 0.477 . . . . 0.0 110.801 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.42 46.03 6.66 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.554 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.671 ' CG ' HD13 ' A' ' 99' ' ' LEU . 4.7 m170 -112.38 126.33 55.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 0.0 110.558 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 1.004 HD11 ' HB2' ' A' ' 102' ' ' ALA . 15.9 mt -130.06 115.09 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.508 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -84.96 125.08 32.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.295 179.342 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.493 ' O ' HG12 ' A' ' 142' ' ' VAL . 3.4 p90 -77.03 -1.12 27.25 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.752 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -88.85 -39.79 13.59 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 120.856 0.36 . . . . 0.0 110.052 179.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.16 -38.95 50.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 124' ' ' MET . 11.2 t80 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.867 179.18 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.527 ' O ' HG22 ' A' ' 146' ' ' VAL . 13.5 p -68.58 -33.78 61.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.676 179.586 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -53.7 55.07 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -32.02 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.061 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.422 ' HG2' ' CD1' ' B' 1919 ' ' TYR . 1.9 mtm -57.24 -34.33 68.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 -179.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 142' ' ' VAL . 33.8 m -110.04 -30.31 2.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.395 -179.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.46 29.81 5.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.056 -179.637 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.849 0.357 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -98.87 36.8 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -80.29 -74.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -0.02 52.67 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.09 -56.23 7.44 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.989 0.424 . . . . 0.0 111.039 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -54.06 -51.15 64.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.67 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 16.7 m -53.71 -42.29 50.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.803 0.335 . . . . 0.0 111.563 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.64 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 17.0 p -57.11 -36.2 70.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.571 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.777 ' CB ' HD21 ' A' ' 112' ' ' LEU . . . -75.81 -25.34 56.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.118 179.429 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 43.0 mt -61.31 -56.86 15.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 110.154 179.235 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 10.7 p -61.75 -37.85 79.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.461 179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.644 HD11 ' CG ' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -62.08 -34.75 65.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.16 0.505 . . . . 0.0 109.843 179.636 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . 0.446 ' HA ' ' CD2' ' B' 1916 ' ' TYR . 1.1 tt0 -60.82 -41.37 95.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.618 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -60.91 -33.76 73.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.207 178.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' B' 1912 ' ' ILE . . . -59.82 -44.84 93.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.609 179.458 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.446 ' CD2' ' HA ' ' B' 1913 ' ' GLN . 15.0 m-85 -60.32 -35.66 76.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 179.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . 0.751 ' O ' HD23 ' B' 1921 ' ' LEU . 17.6 ttt85 -60.91 -43.81 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.21 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -70.94 -32.42 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.174 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' A' ' 145' ' ' MET . 17.7 t80 -57.78 -62.16 2.0 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.417 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.2 -30.65 66.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.741 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . 0.751 HD23 ' O ' ' B' 1917 ' ' ARG . 3.5 mm? -70.82 98.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -135.66 91.56 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 150.82 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.42 86.64 7.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -83.92 -41.85 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.53 128.56 49.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 stop_ save_