data_2mkg_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 2mkg _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 79' ' ' MET . . . . . 0.447 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.846 0.355 . . . . 0.0 110.629 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -78.08 167.2 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.47 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.43 -42.66 96.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.024 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.85 -38.7 92.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.977 0.418 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.05 -40.84 98.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.456 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.83 -42.57 98.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.429 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -64.06 -40.55 96.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.105 0.478 . . . . 0.0 109.825 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.3 91.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.978 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.07 -38.71 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.46 95.37 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.282 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.5 -38.72 81.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.315 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.68 -41.04 98.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.36 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.89 -40.84 98.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -61.82 -41.89 98.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.18 0.514 . . . . 0.0 110.381 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.12 -41.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.139 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.05 -39.53 95.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.53 -40.82 92.91 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.505 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.98 79.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.269 0.556 . . . . 0.0 110.75 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -73.57 -13.04 60.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -75.92 -3.07 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.202 179.609 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.992 0.425 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.88 -38.35 90.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.61 -43.75 98.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -62.14 -41.68 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.963 0.411 . . . . 0.0 110.441 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -70.35 -35.76 73.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.621 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.25 79.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.504 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.32 -46.7 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.163 0.506 . . . . 0.0 110.422 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.5 -37.11 85.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.8 t -61.2 -40.42 93.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.214 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.018 179.291 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.471 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 65.0 p -79.42 167.23 21.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.542 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.81 -40.08 91.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.543 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.96 -42.18 99.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.585 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.471 ' H ' ' HG1' ' A' ' 80' ' ' THR . 73.2 mm-40 -66.68 -39.83 88.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.18 -42.03 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.41 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.13 -47.83 84.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.96 93.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.632 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.64 -41.18 98.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.176 0.513 . . . . 0.0 110.502 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.94 95.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' A' ' 92' ' ' SER . 4.1 mm? -68.12 -36.38 79.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.45 -42.08 99.21 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.194 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.07 -39.14 89.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.463 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 88.2 p -63.76 -38.64 91.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.23 -40.64 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.36 -42.62 98.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.395 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.41 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.5 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -72.88 -27.69 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -99.49 -20.25 16.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.334 0.588 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.314 -0.971 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.78 178.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.82 0.343 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.51 -39.0 92.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.28 -44.38 96.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -62.69 -40.91 98.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.28 -42.32 98.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.34 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.45 91.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.26 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.975 0.416 . . . . 0.0 110.523 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.75 96.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.627 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.56 -39.19 92.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.3 m -62.59 -39.86 95.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.69 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.487 ' C ' HE22 ' A' ' 84' ' ' GLN . 25.8 mmt . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.853 0.359 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.554 ' O ' ' NE2' ' A' ' 84' ' ' GLN . 59.9 p -77.37 166.14 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -60.94 -36.49 79.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.87 -40.61 95.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.67 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.668 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 80' ' ' THR . 1.1 mp0 -64.91 -41.82 95.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.723 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -61.49 -46.81 88.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.654 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.22 82.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.11 -42.48 98.61 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.833 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.73 97.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.429 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -68.83 -38.35 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.654 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.4 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.149 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.21 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.515 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 t -62.46 -41.92 99.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.053 0.454 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.59 -40.17 95.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -62.18 -40.45 96.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.35 -40.98 96.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.41 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.94 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -69.78 -24.32 63.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -74.23 -6.97 50.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.033 179.512 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.914 0.388 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.16 -36.99 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.57 -43.74 98.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -61.74 -39.75 92.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.47 -39.43 93.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.496 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.19 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.351 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.73 -40.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.796 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.18 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.243 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -39.25 84.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.787 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.821 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.375 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 71.1 p -78.25 166.82 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.698 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.42 -40.79 95.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.64 -39.93 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.497 ' H ' ' HG1' ' A' ' 80' ' ' THR . 53.9 tp10 -63.26 -41.62 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.01 -42.54 98.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.42 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.91 -46.43 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.63 91.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.29 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.94 -40.06 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.198 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.27 90.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.205 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 92' ' ' SER . 94.7 mt -64.73 -37.67 88.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.752 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.91 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.604 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.429 ' O ' ' OE2' ' A' ' 95' ' ' GLU . 75.1 mtm -64.46 -40.37 95.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.777 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 95.9 p -61.84 -38.16 87.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.343 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.67 -42.35 98.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -61.57 -41.64 97.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.221 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.37 84.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.142 0.496 . . . . 0.0 110.841 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -65.54 -23.66 66.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -72.44 -12.31 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 C--N 1.317 -0.815 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.317 179.425 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.847 0.356 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.1 -41.92 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -42.19 98.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.458 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.66 -40.91 98.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.49 -43.26 99.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.24 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.272 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.1 -45.37 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.24 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -63.36 -40.46 97.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.1 p -64.89 -39.44 93.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.531 ' SD ' ' NE2' ' A' ' 84' ' ' GLN . 21.5 ptp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.1 p -76.39 165.65 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.41 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -61.8 -38.48 88.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.607 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.459 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -64.19 -38.89 92.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.531 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 26.3 mm-40 -60.74 -43.39 98.01 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.569 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -61.92 -47.81 83.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.471 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.94 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.427 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' O ' ' SD ' ' A' ' 91' ' ' MET . 60.5 tp -61.01 -42.21 98.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.511 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.16 89.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' O ' ' OG ' ' A' ' 92' ' ' SER . 90.7 mt -63.23 -39.1 93.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.781 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.78 -39.17 93.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.419 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -62.57 -42.22 99.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.659 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 88.6 p -62.89 -39.85 95.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.298 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -66.78 -41.52 87.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.767 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 88.0 mt-30 -62.32 -40.93 97.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.3 -40.87 95.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 110.688 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -81.21 -20.97 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.5 OUTLIER -87.9 10.31 19.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--N 1.321 -0.66 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.77 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.54 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 50.4 tp10 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.677 0.275 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.69 -39.01 93.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.429 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -44.02 95.83 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.471 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 89.9 mtm180 -64.41 -39.51 93.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -61.77 -42.05 98.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.0 97.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.403 HD11 HG22 ' A' ' 114' ' ' ILE . 97.1 mt -64.51 -44.16 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.86 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.18 -38.54 91.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -62.88 -40.17 96.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 118' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.899 0.381 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.606 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 64.1 p -77.49 165.86 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.396 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.49 -43.58 98.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.701 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.94 -43.4 88.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.557 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.606 ' H ' ' HG1' ' A' ' 80' ' ' THR . 70.9 mm-40 -66.32 -39.37 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.758 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.07 -42.59 98.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.066 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.09 -49.2 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.779 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.51 97.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.36 -38.88 92.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.693 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.21 94.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.548 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -71.61 -42.7 67.36 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.101 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -66.88 -39.59 87.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.818 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.3 mmt -62.93 -41.55 99.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -62.5 -40.14 95.76 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.587 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.7 -42.67 70.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.65 -42.18 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.13 -39.06 91.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.44 90.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -72.77 -24.64 60.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -73.68 -10.6 59.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.189 0.518 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.313 -1.012 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.699 179.461 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.26 -36.48 82.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.54 -45.11 95.56 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.174 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -62.74 -39.64 94.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.309 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.34 -40.32 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.445 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.42 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.433 HG23 HD12 ' A' ' 114' ' ' ILE . 49.9 mm -63.89 -44.95 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.51 97.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.69 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.7 -39.44 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.6 t -63.17 -41.25 99.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.928 0.394 . . . . 0.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.852 0.358 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -78.06 165.19 24.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -62.25 -37.48 85.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.92 -41.76 98.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.81 -40.93 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.691 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.73 -41.65 98.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.58 -46.8 88.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.256 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -42.45 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.344 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.44 96.33 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.761 -0.375 . . . . 0.0 110.643 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.35 -36.84 82.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.252 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.49 -41.76 99.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.72 -40.83 97.72 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.767 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.6 p -64.58 -38.93 92.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.76 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.89 -39.97 94.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.03 -40.73 98.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.79 -40.95 97.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 0.0 110.534 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.99 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -80.9 -9.35 59.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.08 6.35 6.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.4 . . . . 0.0 110.256 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.019 179.534 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.72 0.295 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.88 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.94 -40.17 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.105 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -62.31 -41.42 98.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 0.0 109.685 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.94 -42.69 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.917 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.473 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.84 -43.38 98.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.316 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.07 93.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -39.58 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.91 -40.57 97.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.484 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.331 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 79' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.787 0.327 . . . . 0.0 110.679 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.7 p -77.92 165.81 23.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.515 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -59.81 -34.33 72.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.22 -40.6 94.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.88 -39.05 90.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.313 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.77 -44.54 93.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.08 93.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.94 -40.24 94.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.496 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.95 96.38 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.257 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.98 -38.09 87.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.451 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.71 -40.6 97.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.627 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.11 -40.4 97.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -62.85 -40.71 98.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.435 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 24.0 mm100 -62.26 -40.93 97.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.5 -41.77 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.304 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.76 87.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.145 0.497 . . . . 0.0 110.722 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -67.73 -25.18 65.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -75.44 1.74 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.478 -179.747 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.354 179.733 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.26 -39.09 93.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.357 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.21 -43.66 98.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.997 0.427 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -64.5 -41.77 96.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.67 91.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.497 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.401 HD13 HG23 ' A' ' 114' ' ' ILE . 96.1 mt -62.95 -45.24 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.11 96.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.37 -38.74 92.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.535 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.6 m -62.97 -40.04 96.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.421 179.69 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.2 mmm . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.756 0.313 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.9 p -75.49 165.74 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.557 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.07 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.8 mp0 -62.86 -40.35 97.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.414 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -63.9 -39.76 94.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.697 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.88 -41.95 98.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.461 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.98 -46.29 89.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.667 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.9 87.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.2 -38.4 88.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.82 97.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.45 -37.22 80.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.436 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 62.0 mtt -63.74 -40.02 95.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.522 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -61.73 -40.87 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.013 0.435 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.02 -40.12 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.982 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.99 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.42 -43.08 99.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.498 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.21 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.136 0.494 . . . . 0.0 110.774 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -68.48 -22.55 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.34 -4.28 38.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.106 0.479 . . . . 0.0 111.105 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.048 179.414 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.744 0.307 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.93 0.395 . . . . 0.0 110.049 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.49 -42.97 99.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -62.33 -41.84 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.208 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.86 -39.13 93.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.44 91.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.632 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -68.73 -42.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.859 0.362 . . . . 0.0 110.389 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.72 -40.04 95.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.1 m -63.44 -40.86 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.459 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.725 179.655 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.881 0.372 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.428 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 72.0 p -78.08 164.84 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.396 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.42 -41.39 98.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -65.51 -40.26 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' H ' ' HG1' ' A' ' 80' ' ' THR . 42.2 tt0 -62.17 -42.41 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.521 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.88 -41.16 99.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.98 0.419 . . . . 0.0 110.048 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -63.64 -42.29 98.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.87 87.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.388 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.47 -39.91 94.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.482 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.96 -34.03 72.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.224 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -63.11 -41.96 99.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.417 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.15 -41.94 89.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.964 0.411 . . . . 0.0 110.411 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.9 m -66.61 -38.27 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.667 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.539 ' OE2' ' NE ' ' A' ' 97' ' ' ARG . 16.2 tm-20 -62.78 -41.77 99.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.02 -43.18 99.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.552 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.58 -25.45 66.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.167 0.508 . . . . 0.0 110.724 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.16 72.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.375 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.539 ' NE ' ' OE2' ' A' ' 93' ' ' GLU . 2.2 mpt_? -66.16 -26.12 67.27 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.466 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.44 -15.71 30.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.309 0.576 . . . . 0.0 110.667 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 79.0 t . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.692 179.229 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.597 0.237 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.94 -40.91 99.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.58 -41.04 80.22 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.568 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -61.47 -41.41 97.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.19 -39.07 93.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.07 -45.03 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.714 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -64.48 -40.52 95.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.4 p -64.4 -39.15 93.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.966 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.74 0.305 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.623 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 60.2 p -69.97 159.5 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.8 -41.99 98.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.522 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -64.19 -43.27 95.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.623 ' H ' ' HG1' ' A' ' 80' ' ' THR . 51.8 tp10 -62.83 -43.76 97.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.335 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.16 -45.64 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.85 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' A' ' 91' ' ' MET . 61.3 tp -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.545 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.64 89.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.283 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.18 -36.88 85.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.658 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 94' ' ' GLN . 68.3 mttm -63.01 -41.72 99.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -65.61 -40.74 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.625 178.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -65.29 -37.84 88.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.489 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 97' ' ' ARG . 54.0 tp10 -61.82 -44.41 96.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 2.5 mp0 -64.02 -44.06 93.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.416 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.18 -36.05 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.357 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.46 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 93' ' ' GLU . 75.7 mmt-85 -62.9 -26.24 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.9 -13.54 57.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.126 0.489 . . . . 0.0 110.906 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.893 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 66.1 mm-40 . . . . . 0 CA--C 1.524 -0.047 0 CA-C-O 120.513 0.197 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.29 -39.67 95.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.85 -37.27 62.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.734 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 60.1 ttp180 -62.81 -44.84 95.1 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -72.49 -34.66 67.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.61 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.92 -43.26 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.449 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.67 -38.89 92.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.486 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -62.78 -40.27 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.111 0.481 . . . . 0.0 110.525 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.785 179.706 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.792 0.33 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.616 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 65.8 p -76.59 160.54 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.52 -42.49 98.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.616 ' H ' ' HG1' ' A' ' 80' ' ' THR . 88.4 tt0 -63.69 -42.92 97.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.467 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.27 -40.28 93.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.64 -44.33 97.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.386 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.33 97.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.726 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.08 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.385 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.27 97.81 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.63 -38.84 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -63.63 -41.53 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.504 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.3 mtt -63.63 -40.78 97.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.71 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.9 p -64.56 -38.59 91.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.649 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.46 -40.46 95.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -63.1 -42.46 99.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.457 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.38 -29.54 63.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.587 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.11 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.742 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -62.87 -26.92 69.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.57 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.21 -9.01 43.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.975 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.856 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.35 -41.75 89.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.72 -40.79 95.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.1 0.476 . . . . 0.0 110.293 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -40.32 92.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.377 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.48 -37.43 87.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.421 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.91 91.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.508 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.23 -41.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.122 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.23 92.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.83 -35.47 81.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.1 m -63.15 -22.78 67.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.678 -179.374 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.927 0.394 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.461 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 72.8 p -78.37 165.55 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.07 -39.29 91.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.96 -43.07 99.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.461 ' H ' ' HG1' ' A' ' 80' ' ' THR . 96.8 mt-10 -63.59 -43.09 97.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.471 . . . . 0.0 110.767 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.85 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.118 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.72 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.37 -39.69 93.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.298 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.39 89.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.099 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.32 -39.12 93.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -63.0 -40.55 98.11 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.505 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.3 mmm -64.7 -42.08 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.356 0.598 . . . . 0.0 110.229 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -66.62 -31.71 72.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.35 -43.83 96.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.17 -42.05 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -73.36 -32.09 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.652 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.61 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.586 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -62.16 -26.81 68.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.596 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -87.41 -12.95 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.614 179.725 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.4 -41.15 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.817 0.817 . . . . 0.0 110.324 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.25 -37.46 71.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -60.33 -42.42 95.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -69.88 -33.23 71.96 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.785 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.74 96.37 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.561 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.3 mm -69.97 -40.87 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.359 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.06 96.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.544 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.81 -40.09 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.232 0.539 . . . . 0.0 110.361 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.444 -179.615 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.964 0.411 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.2 p -78.39 164.48 24.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.687 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -61.98 -34.98 77.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.07 -37.15 83.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -64.75 -40.46 95.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.598 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.01 -41.63 99.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.88 -46.95 87.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.03 89.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.22 -41.87 97.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.38 96.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 110.473 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 110.398 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -63.33 -40.08 96.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.135 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.89 -41.0 99.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.5 m -63.1 -40.52 97.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.02 -39.93 95.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.478 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 95.5 mm-40 -63.26 -39.6 95.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.82 -39.94 90.87 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.263 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.93 93.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.09 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.53 -18.86 39.99 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.478 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -88.71 10.34 21.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.108 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.137 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.53 -40.06 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.142 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.0 -40.78 98.78 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.425 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -63.39 -41.29 98.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.52 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.77 92.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.614 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.441 ' O ' ' OG ' ' A' ' 117' ' ' SER . 97.0 mt -62.72 -44.1 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.35 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.06 92.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.399 . . . . 0.0 110.537 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.73 -38.81 92.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.544 ' HG ' ' N ' ' A' ' 118' ' ' LEU . 92.8 p -63.45 -38.28 90.52 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.609 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.544 ' N ' ' HG ' ' A' ' 117' ' ' SER . 9.2 mp . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.061 0.457 . . . . 0.0 110.18 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.337 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -74.64 161.48 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.94 -43.83 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.62 -40.91 98.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.38 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.54 -42.8 99.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.504 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -62.34 -44.82 95.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.47 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.82 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.04 -40.36 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.23 96.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.63 -37.39 86.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.856 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.76 -41.06 99.04 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.063 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.6 mtt -64.2 -41.36 97.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 0.0 110.309 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.477 ' CB ' HH12 ' A' ' 111' ' ' ARG . 74.8 m -65.72 -39.4 91.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.895 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.17 -41.61 99.26 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -62.97 -43.2 99.45 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.54 -37.25 74.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.836 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.66 -27.44 69.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.768 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -63.19 -26.11 68.65 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.81 -5.99 54.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.113 0.482 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 179.779 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.91 -42.87 97.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.477 HH12 ' CB ' ' A' ' 92' ' ' SER . 11.7 tpt180 -61.49 -40.36 94.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -61.91 -40.76 96.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.57 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.601 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.7 mm -65.92 -45.5 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.73 98.96 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.28 -40.63 94.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.3 p -64.2 -38.82 92.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.924 0.393 . . . . 0.0 110.709 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.695 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.0 mtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.674 0.273 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -74.23 159.57 32.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.33 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.7 -41.54 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -64.3 -42.36 96.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -63.5 -41.96 98.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.24 -47.04 87.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.86 90.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.374 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -40.92 98.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.195 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.67 -40.12 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -63.0 -41.23 99.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.506 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.4 -41.1 85.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.68 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.6 m -64.22 -38.38 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.35 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.42 -42.85 99.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.411 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.99 -42.0 99.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.69 -35.95 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.297 0.57 . . . . 0.0 110.591 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.75 -37.0 80.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.86 -27.69 69.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.565 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.45 -14.99 34.14 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.113 0.483 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.315 -0.897 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.888 179.384 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.406 ' CG ' HH21 ' A' ' 111' ' ' ARG . 95.0 mt-10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.656 0.265 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 109' ' ' LEU . 4.1 mm? -68.16 -39.97 82.45 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.605 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.39 -44.18 95.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.406 HH21 ' CG ' ' A' ' 108' ' ' GLU . 90.0 mtm180 -66.13 -39.83 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -61.17 -43.82 98.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.05 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.7 mm -63.59 -45.58 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.23 97.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.38 -40.75 98.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.8 m -64.32 -39.67 94.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.906 -179.741 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 79' ' ' MET . 3.3 mpp? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.995 0.426 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -76.42 165.06 25.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -61.66 -42.63 99.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.15 -42.71 99.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.137 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.95 -40.42 96.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -61.31 -46.48 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.49 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.45 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.6 -42.2 98.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.135 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.1 89.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.29 -39.76 95.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -63.83 -38.82 92.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.133 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.2 mmm -61.94 -41.56 98.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.397 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.4 m -63.45 -40.16 96.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.35 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.95 -40.43 96.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -61.74 -39.18 90.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.162 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.28 -41.4 96.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.93 -38.01 79.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 110.54 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -68.64 -18.92 64.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.845 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -73.55 -13.68 61.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--N 1.317 -0.845 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.092 179.43 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.796 0.331 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.03 -41.24 82.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.44 -40.35 93.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.354 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.74 -40.86 96.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' A' ' 116' ' ' GLU . 26.5 ttpp -62.37 -42.47 99.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.72 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.54 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.27 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 110.135 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.02 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.592 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 112' ' ' LYS . 98.6 mt-10 -62.46 -38.37 89.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -62.6 -42.3 99.49 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.328 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.326 -0.444 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.537 179.199 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.865 0.364 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 82.1 p -77.81 162.92 26.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.47 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.86 -41.46 99.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.708 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.492 ' H ' ' HG1' ' A' ' 80' ' ' THR . 95.9 mt-10 -64.07 -40.69 96.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -62.95 -41.65 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.93 -47.27 85.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.77 82.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.403 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.45 -41.05 96.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.01 94.21 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.537 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 92' ' ' SER . 4.2 mm? -65.75 -40.06 91.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.807 179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -63.51 -40.84 98.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.341 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.4 mtp -62.72 -40.56 97.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 91.7 p -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.087 0.47 . . . . 0.0 110.479 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.56 -39.45 93.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.21 -39.25 94.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.377 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.89 -42.79 98.69 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.352 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.82 92.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.57 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -71.31 -19.64 62.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -79.22 2.98 19.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.2 179.681 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 108' ' ' GLU . 1.2 mp0 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.97 -40.77 96.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.797 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.3 -42.98 99.11 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.402 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.31 -42.53 99.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.21 -39.82 89.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.698 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.43 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.433 ' O ' ' OG ' ' A' ' 117' ' ' SER . 5.9 mm -62.9 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.286 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -40.12 95.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 90.7 p -63.91 -39.48 94.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.34 179.575 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.46 0.062 0 CA-C-O 120.834 0.349 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.1 p -78.07 162.9 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' GLU . 22.3 pt-20 -62.94 -40.8 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 81' ' ' GLU . 98.9 mt-10 -64.72 -40.86 96.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.542 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.63 -40.57 92.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.51 -40.76 95.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.419 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.5 -46.88 88.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.54 93.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.7 -39.23 93.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.719 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.55 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 92' ' ' SER . 86.7 mt -64.4 -38.88 92.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.081 0.467 . . . . 0.0 110.44 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -64.55 -39.07 93.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 88.0 p -63.2 -39.62 95.15 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.279 0.562 . . . . 0.0 110.417 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.83 -39.58 93.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.431 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.7 -39.38 93.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.88 -41.5 96.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.109 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.82 78.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.278 0.561 . . . . 0.0 110.712 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -71.93 -17.07 62.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -74.46 -4.48 36.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.495 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.97 0.414 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.33 -39.38 92.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.21 -43.69 98.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.4 -40.89 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -63.76 -43.06 97.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.535 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.13 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.579 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.416 HG21 HD12 ' A' ' 114' ' ' ILE . 96.2 mt -63.11 -45.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.429 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.44 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.77 -38.61 91.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.4 m -62.3 -40.1 95.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.722 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.546 179.562 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.834 0.349 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -75.06 163.49 27.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.409 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.04 -38.45 88.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.774 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.79 -42.47 97.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.811 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.14 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.686 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -62.25 -40.47 96.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.16 -46.27 91.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.67 95.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.24 -37.3 86.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.223 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.08 95.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.282 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.48 -39.15 93.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -63.69 -41.19 98.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.443 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.5 mmt -64.36 -40.12 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -41.33 98.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.47 -39.51 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.456 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.71 -42.36 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.614 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -71.41 -30.45 66.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.474 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.54 -20.34 65.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -63.36 -25.3 68.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.577 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.77 -13.33 60.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.613 -179.757 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.791 0.329 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.66 -41.1 98.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.576 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.9 -40.14 83.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -64.38 -39.02 93.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.561 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -62.5 -42.33 99.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.481 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.27 96.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.955 0.407 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.92 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.99 93.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.513 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.11 -40.1 96.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.72 -39.82 95.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.651 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.587 -179.727 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.53 142.96 98.55 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.737 2.291 . . . . 0.0 111.888 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 67.7 mt 56.17 16.45 2.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 71.32 22.45 78.56 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.0 m -67.68 143.9 55.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.59 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -73.46 139.26 45.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.68 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.32 151.67 43.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.477 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.414 HG23 HD11 ' A' ' 76' ' ' ILE . 27.2 mm -77.49 126.2 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.412 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.53 159.85 31.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -61.09 144.62 53.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.167 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.447 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -85.96 143.69 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.629 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -78.08 167.2 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.47 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.43 -42.66 96.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.024 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.85 -38.7 92.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.977 0.418 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.05 -40.84 98.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.456 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.83 -42.57 98.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.429 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -64.06 -40.55 96.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.105 0.478 . . . . 0.0 109.825 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.3 91.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.978 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.07 -38.71 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.46 95.37 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.282 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.5 -38.72 81.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.315 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.68 -41.04 98.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.36 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.89 -40.84 98.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -61.82 -41.89 98.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.18 0.514 . . . . 0.0 110.381 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.12 -41.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.139 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.05 -39.53 95.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.53 -40.82 92.91 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.505 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.98 79.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.269 0.556 . . . . 0.0 110.75 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -73.57 -13.04 60.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -75.92 -3.07 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.12 128.88 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.202 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 100' ' ' ASN . 45.9 p-10 -82.76 127.08 33.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.762 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.7 m -67.24 -21.73 65.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.616 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -61.25 -28.75 69.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.226 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.22 -43.07 99.46 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.32 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.19 -41.12 77.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.019 0.438 . . . . 0.0 110.528 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.18 -40.02 90.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.422 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.08 -41.65 97.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.186 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.51 -43.11 99.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.89 -42.26 97.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.523 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.88 -38.35 90.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.61 -43.75 98.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -62.14 -41.68 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.963 0.411 . . . . 0.0 110.441 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -70.35 -35.76 73.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.621 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.25 79.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.504 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.32 -46.7 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.163 0.506 . . . . 0.0 110.422 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.5 -37.11 85.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.436 ' O ' ' OG ' ' A' ' 120' ' ' SER . 45.8 t -61.2 -40.42 93.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.214 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.98 -30.58 69.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.018 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -96.16 8.63 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.383 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 117' ' ' SER . 83.0 p -89.07 1.96 54.8 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.337 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 92.2 m -42.77 125.95 3.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.884 0.373 . . . . 0.0 110.372 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.529 ' NE ' ' C ' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -150.97 74.74 8.41 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 121.201 0.524 . . . . 0.0 110.087 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.473 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 39.8 Cg_exo -58.13 142.18 96.9 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 122.66 2.24 . . . . 0.0 111.967 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.9 t -67.54 144.34 55.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.366 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.92 135.81 56.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.51 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.66 81.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 82.0 p -74.78 -19.13 60.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.22 11.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.9 m -92.17 133.04 36.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.779 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -75.91 140.0 41.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.7 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.498 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.36 138.31 79.53 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.683 2.255 . . . . 0.0 111.853 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 46.6 mt -107.41 61.5 0.62 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.37 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.25 24.56 73.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 69.3 m -61.25 144.95 52.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.546 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -61.08 143.76 54.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.46 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -57.85 153.64 13.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.435 HD13 HG23 ' A' ' 76' ' ' ILE . 94.2 mt -69.64 128.49 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.522 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.86 168.55 19.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.652 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -58.37 147.42 31.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.652 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -67.86 135.68 52.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.758 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.471 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 65.0 p -79.42 167.23 21.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.542 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.81 -40.08 91.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.543 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.96 -42.18 99.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.585 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.471 ' H ' ' HG1' ' A' ' 80' ' ' THR . 73.2 mm-40 -66.68 -39.83 88.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.18 -42.03 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.41 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.13 -47.83 84.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.96 93.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.632 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.64 -41.18 98.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.176 0.513 . . . . 0.0 110.502 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.94 95.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' A' ' 92' ' ' SER . 4.1 mm? -68.12 -36.38 79.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.45 -42.08 99.21 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.194 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.07 -39.14 89.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.463 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 88.2 p -63.76 -38.64 91.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.23 -40.64 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.36 -42.62 98.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.395 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.41 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.5 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -72.88 -27.69 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -99.49 -20.25 16.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.334 0.588 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.19 155.57 3.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.78 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -51.52 154.22 1.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.201 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.3 p -60.87 -21.79 63.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.327 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -61.01 -40.93 95.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.405 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.85 -39.38 90.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.675 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -62.43 -40.5 96.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.474 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -62.97 -41.36 99.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.072 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -63.08 -42.09 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.93 -41.13 97.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.191 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.89 -41.18 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.275 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.51 -39.0 92.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.28 -44.38 96.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -62.69 -40.91 98.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.28 -42.32 98.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.34 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.45 91.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.26 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.975 0.416 . . . . 0.0 110.523 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.65 -40.75 96.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.627 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' O ' ' OG ' ' A' ' 120' ' ' SER . 42.7 mt-10 -62.56 -39.19 92.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.3 m -62.59 -39.86 95.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.8 mp -81.51 -33.87 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.69 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 30.4 m120 -73.83 -10.55 59.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.341 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 116' ' ' GLU . 73.1 m -76.26 -14.14 60.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.991 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 51.2 t -83.64 119.14 24.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.053 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 tpt85 -142.82 79.19 15.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.19 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.2 147.68 64.44 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 123.017 2.478 . . . . 0.0 112.264 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.4 m -63.63 145.0 56.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.77 154.06 42.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.6 -33.32 71.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.42 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 68.3 m -76.31 -7.73 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.634 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 79.78 9.01 1.54 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.398 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.8 m -94.96 123.24 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.376 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.43 ' O ' ' OG ' ' A' ' 131' ' ' SER . 36.1 ptt-85 -95.37 139.59 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.453 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 130' ' ' ARG . 33.7 m . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.556 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.526 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 30.9 Cg_exo -59.77 146.36 95.75 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.684 2.256 . . . . 0.0 111.826 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' -2' ' ' LEU . 8.8 mp -61.32 -38.13 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.703 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 84.59 3.46 88.32 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 83.8 p -70.08 158.35 35.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -74.0 133.81 43.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.668 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -72.24 138.07 47.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.369 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.8 mm -66.04 126.47 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.337 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.88 150.95 34.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.561 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' A' ' 78' ' ' GLN . 4.0 mp0 -75.82 143.94 41.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.487 ' C ' HE22 ' A' ' 84' ' ' GLN . 25.8 mmt -80.06 141.34 35.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.492 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.554 ' O ' ' NE2' ' A' ' 84' ' ' GLN . 59.9 p -77.37 166.14 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -60.94 -36.49 79.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.87 -40.61 95.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.67 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.668 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 80' ' ' THR . 1.1 mp0 -64.91 -41.82 95.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.723 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -61.49 -46.81 88.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.654 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.22 82.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.11 -42.48 98.61 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.833 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.73 97.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.429 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -68.83 -38.35 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.654 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.4 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.149 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.21 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.515 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 t -62.46 -41.92 99.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.053 0.454 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.59 -40.17 95.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -62.18 -40.45 96.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.35 -40.98 96.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.41 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.94 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -69.78 -24.32 63.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -74.23 -6.97 50.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.66 128.59 35.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.033 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -83.58 120.71 26.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.7 p -76.86 -25.35 53.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.57 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.43 -31.53 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.706 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.02 -40.91 99.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.147 0.499 . . . . 0.0 110.619 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.43 -39.39 62.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.43 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.66 -46.57 85.02 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.079 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 107' ' ' GLU . 3.1 pp20? -68.15 -34.1 75.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.514 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 53.0 tp10 -61.78 -43.21 99.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.169 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.27 -45.63 90.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.16 -36.99 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.57 -43.74 98.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -61.74 -39.75 92.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.47 -39.43 93.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.496 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.19 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.351 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.73 -40.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.796 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.18 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.243 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -39.25 84.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.787 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.19 -35.88 76.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -72.11 -25.72 61.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.661 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.3 t -105.09 7.73 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.629 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 122' ' ' ARG . 50.8 t -72.16 -108.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.701 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.665 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 16.7 ttm180 -67.99 -40.74 24.1 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.154 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 50.8 Cg_exo -56.65 140.46 90.36 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.705 2.27 . . . . 0.0 111.984 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.8 m -72.47 150.96 42.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.504 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.48 149.37 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -34.2 73.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.519 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 73.4 m -83.05 -10.73 58.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.632 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 79.35 -46.86 0.37 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.865 0.364 . . . . 0.0 110.593 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.7 t -93.91 150.77 20.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.372 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -79.67 137.22 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.516 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.734 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.18 -35.45 90.93 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.739 2.293 . . . . 0.0 111.909 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.65 131.94 44.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.314 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 75.68 10.99 84.79 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 84.9 p -67.83 158.5 32.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 110.448 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.83 136.89 45.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.651 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -67.42 151.18 47.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.646 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.516 ' N ' ' CD1' ' A' ' 76' ' ' ILE . 1.8 mp -79.81 127.74 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.266 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.65 171.44 9.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -58.82 144.21 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.255 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtm -68.34 136.32 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.489 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 71.1 p -78.25 166.82 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.698 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.42 -40.79 95.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.64 -39.93 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.497 ' H ' ' HG1' ' A' ' 80' ' ' THR . 53.9 tp10 -63.26 -41.62 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.01 -42.54 98.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.42 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.91 -46.43 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.63 91.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.29 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.94 -40.06 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.198 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.27 90.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.205 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 92' ' ' SER . 94.7 mt -64.73 -37.67 88.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.752 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.91 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.604 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.429 ' O ' ' OE2' ' A' ' 95' ' ' GLU . 75.1 mtm -64.46 -40.37 95.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.777 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 95.9 p -61.84 -38.16 87.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.343 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.67 -42.35 98.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -61.57 -41.64 97.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.221 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.37 84.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.142 0.496 . . . . 0.0 110.841 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -65.54 -23.66 66.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -72.44 -12.31 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.1 t -82.09 128.19 38.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.317 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -84.26 118.38 24.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.9 p -77.54 -31.57 53.37 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.39 0.614 . . . . 0.0 110.853 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -65.51 -29.59 70.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.647 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.36 -42.98 99.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.25 -39.67 82.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.461 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.88 -41.82 97.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.38 -40.01 95.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.568 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -61.86 -40.32 94.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -63.8 -41.91 97.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.1 -41.92 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -42.19 98.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.458 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.66 -40.91 98.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.49 -43.26 99.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.24 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.272 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.1 -45.37 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.24 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -63.36 -40.46 97.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.1 p -64.89 -39.44 93.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.56 -34.94 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -68.81 -28.7 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.669 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.508 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 96.7 p -98.63 -14.77 19.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.472 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 120' ' ' SER . 17.2 p 40.13 -165.09 0.0 OUTLIER 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -77.04 152.42 82.28 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.742 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.24 146.71 59.07 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.355 2.036 . . . . 0.0 111.813 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.0 p -67.82 159.09 31.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.46 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -77.84 124.89 28.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.486 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.84 -24.75 63.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 60.6 p -73.4 -20.64 60.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.21 33.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.231 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.6 t -76.39 138.56 40.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -90.29 137.71 32.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.385 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.557 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.36 -28.54 63.17 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.65 2.233 . . . . 0.0 112.018 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 78.7 mt -71.61 127.44 32.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.54 12.48 82.39 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.8 m -66.94 152.68 45.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -67.19 146.77 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.417 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -66.94 148.29 52.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.1 mt -89.23 132.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.636 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.3 161.65 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.52 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -57.11 127.07 30.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.575 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.531 ' SD ' ' NE2' ' A' ' 84' ' ' GLN . 21.5 ptp -84.5 148.25 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.734 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.1 p -76.39 165.65 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.41 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -61.8 -38.48 88.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.607 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.459 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -64.19 -38.89 92.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.531 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 26.3 mm-40 -60.74 -43.39 98.01 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.569 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -61.92 -47.81 83.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.471 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.94 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.427 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' O ' ' SD ' ' A' ' 91' ' ' MET . 60.5 tp -61.01 -42.21 98.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.511 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.16 89.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' O ' ' OG ' ' A' ' 92' ' ' SER . 90.7 mt -63.23 -39.1 93.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.781 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.78 -39.17 93.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.419 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -62.57 -42.22 99.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.659 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 88.6 p -62.89 -39.85 95.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.298 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -66.78 -41.52 87.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.767 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 88.0 mt-30 -62.32 -40.93 97.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.3 -40.87 95.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 110.688 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -81.21 -20.97 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.5 OUTLIER -87.9 10.31 19.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.47 134.21 26.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.77 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -55.04 131.2 44.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.117 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.9 p -67.32 -21.17 65.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.287 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.93 -30.27 70.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.478 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.08 -43.04 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.654 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.1 mp0 -71.2 -37.42 72.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.398 0.618 . . . . 0.0 110.579 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.44 -35.97 79.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.095 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -59.4 -40.01 85.23 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.145 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.14 -40.27 95.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.54 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 50.4 tp10 -62.22 -45.63 92.47 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.849 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.69 -39.01 93.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.429 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -44.02 95.83 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.471 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 89.9 mtm180 -64.41 -39.51 93.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -61.77 -42.05 98.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.0 97.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.403 HD11 HG22 ' A' ' 114' ' ' ILE . 97.1 mt -64.51 -44.16 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.86 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.18 -38.54 91.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -62.88 -40.17 96.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 118' ' ' LEU . 4.4 mm? -78.48 -34.53 47.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -71.36 -24.28 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.537 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.0 m -79.83 -10.3 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.345 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 89.3 m 54.83 63.94 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.479 ' N ' ' HD2' ' A' ' 123' ' ' PRO . 11.9 mmm-85 -44.15 -60.47 2.77 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.672 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 122' ' ' ARG . 27.5 Cg_endo -61.38 145.59 98.07 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.489 2.126 . . . . 0.0 111.902 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.3 t -65.73 144.77 56.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -61.69 161.8 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.445 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.21 70.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 85.0 p -73.68 -11.45 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.841 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 79.14 -20.58 0.38 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 110.488 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 127' ' ' SER . 68.8 p -79.66 158.88 26.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.59 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -90.2 127.96 36.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.604 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.545 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.55 -29.71 85.91 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.765 2.31 . . . . 0.0 111.587 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.99 118.5 11.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.283 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.25 -16.42 58.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.7 m -73.79 146.55 44.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.67 0.271 . . . . 0.0 110.707 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -70.59 141.51 51.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.724 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -66.09 139.43 58.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.09 125.15 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.07 146.93 34.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -70.58 138.68 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.425 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 mtt -86.6 132.18 33.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.606 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 64.1 p -77.49 165.86 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.396 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.49 -43.58 98.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.701 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.94 -43.4 88.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.557 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.606 ' H ' ' HG1' ' A' ' 80' ' ' THR . 70.9 mm-40 -66.32 -39.37 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.758 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.07 -42.59 98.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.066 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.09 -49.2 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.779 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.51 97.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.36 -38.88 92.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.693 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.21 94.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.548 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -71.61 -42.7 67.36 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.101 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -66.88 -39.59 87.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.818 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.3 mmt -62.93 -41.55 99.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -62.5 -40.14 95.76 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.587 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.7 -42.67 70.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.65 -42.18 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.13 -39.06 91.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.44 90.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 8.2 mpt_? -72.77 -24.64 60.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -73.68 -10.6 59.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.189 0.518 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -82.8 157.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.699 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -48.85 160.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.988 0.423 . . . . 0.0 110.372 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.4 p -61.44 -23.89 66.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.674 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -62.11 -44.5 96.52 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.935 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 103' ' ' GLU . 49.2 mp0 -75.98 -31.52 59.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.108 0.48 . . . . 0.0 111.123 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.83 -36.02 78.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.424 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -62.11 -40.05 94.57 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.58 -41.77 99.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.888 0.375 . . . . 0.0 110.373 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.421 ' OE2' ' NH1' ' A' ' 97' ' ' ARG . 50.5 tt0 -63.91 -40.79 97.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.295 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.14 -41.08 97.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.26 -36.48 82.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.54 -45.11 95.56 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.174 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -62.74 -39.64 94.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.309 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.34 -40.32 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.445 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.42 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.433 HG23 HD12 ' A' ' 114' ' ' ILE . 49.9 mm -63.89 -44.95 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.51 97.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.69 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.7 -39.44 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.506 ' OG ' ' CZ ' ' A' ' 122' ' ' ARG . 46.6 t -63.17 -41.25 99.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.928 0.394 . . . . 0.0 110.72 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.75 -35.18 78.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -83.01 -25.39 32.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 121' ' ' CYS . 74.2 m -78.45 -19.37 53.29 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.622 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.494 ' O ' ' O ' ' A' ' 120' ' ' SER . 83.9 m 55.93 125.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.8 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.506 ' CZ ' ' OG ' ' A' ' 117' ' ' SER . 15.2 ptp180 -138.48 56.96 10.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.441 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 53.4 Cg_endo -68.65 153.59 73.09 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.927 2.418 . . . . 0.0 112.147 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.2 m -66.66 162.71 20.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.716 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.04 156.9 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.43 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.37 -25.68 64.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.465 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 33.1 t -73.23 -12.87 61.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.642 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 80.29 7.98 1.46 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.464 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.4 p -81.85 158.81 23.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.33 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -101.8 140.68 35.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.58 179.633 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.412 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 40.4 Cg_endo -67.57 150.35 79.93 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.5 2.133 . . . . 0.0 111.858 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 9.0 tp -73.66 51.04 0.35 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.418 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.0 -3.32 84.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 40.0 t -66.92 140.59 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.438 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -67.38 149.68 49.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.572 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -58.85 152.8 18.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.558 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.7 mt -88.17 131.29 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 149.31 38.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.655 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.32 145.79 50.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.5 mtt -80.74 140.05 35.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.581 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -78.06 165.19 24.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -62.25 -37.48 85.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.92 -41.76 98.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.81 -40.93 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.691 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.73 -41.65 98.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.58 -46.8 88.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.256 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -42.45 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.344 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.44 96.33 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.761 -0.375 . . . . 0.0 110.643 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.35 -36.84 82.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.252 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.49 -41.76 99.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.72 -40.83 97.72 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.767 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.6 p -64.58 -38.93 92.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.76 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.89 -39.97 94.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.03 -40.73 98.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.79 -40.95 97.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 0.0 110.534 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.99 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -80.9 -9.35 59.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.08 6.35 6.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.4 . . . . 0.0 110.256 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -74.91 128.85 37.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.019 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -82.54 127.63 33.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.462 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.5 p -66.78 -19.56 65.77 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.328 0.585 . . . . 0.0 110.666 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -60.09 -28.47 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.287 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 104' ' ' GLU . 19.7 pt-20 -61.45 -40.51 94.76 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.092 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 98.9 mt-10 -67.7 -40.23 84.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.635 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.28 -42.48 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.211 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.39 -38.31 89.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.89 -41.12 95.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.32 -43.16 99.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.604 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.88 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.94 -40.17 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.105 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -62.31 -41.42 98.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 0.0 109.685 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.94 -42.69 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.917 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.473 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.84 -43.38 98.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.316 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.07 93.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -39.58 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.91 -40.57 97.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.484 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.86 -35.18 78.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -70.41 -28.25 64.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 0.0 110.478 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.4 m -92.4 -8.05 45.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 36.7 t -62.22 105.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.994 0.426 . . . . 0.0 110.627 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.64 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 35.3 mtt180 -82.13 -37.9 0.84 Allowed Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.243 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 41.7 Cg_exo -58.1 153.08 47.73 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.721 2.281 . . . . 0.0 112.027 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -60.76 143.87 53.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.14 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.3 148.73 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.642 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.69 -22.36 66.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.378 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 86.5 p -73.43 -14.94 61.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.733 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.8 36.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.541 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.0 m -74.52 129.36 37.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -91.48 134.31 34.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.318 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.4 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.31 -23.86 58.54 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.591 2.194 . . . . 0.0 111.97 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 71.8 mt -82.55 159.19 22.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.419 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 92.05 5.01 66.36 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 79.2 p -70.58 159.55 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.4 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -66.43 141.44 57.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.405 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -75.23 147.78 40.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.514 ' N ' ' CD1' ' A' ' 76' ' ' ILE . 3.2 mp -84.93 125.31 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.568 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.89 159.57 34.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.408 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -63.5 147.73 50.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.238 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 79' ' ' MET . 1.0 OUTLIER -86.67 142.99 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.679 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.7 p -77.92 165.81 23.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.515 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -59.81 -34.33 72.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.22 -40.6 94.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.88 -39.05 90.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.313 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.77 -44.54 93.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.08 93.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.94 -40.24 94.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.496 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.95 96.38 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.257 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.98 -38.09 87.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.451 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.71 -40.6 97.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.627 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.11 -40.4 97.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -62.85 -40.71 98.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.435 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 24.0 mm100 -62.26 -40.93 97.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.5 -41.77 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.304 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.76 87.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.145 0.497 . . . . 0.0 110.722 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -67.73 -25.18 65.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -75.44 1.74 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.478 -179.747 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.85 128.11 38.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.354 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.72 120.4 26.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.631 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.7 m -77.17 -21.36 54.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.697 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -61.15 -35.23 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.532 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.03 -43.17 99.28 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.518 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.67 -40.15 88.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 110.383 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.09 -38.91 92.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.629 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.07 -43.08 95.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.068 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.44 -41.4 98.7 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.61 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.82 -43.21 96.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.26 -39.09 93.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.357 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.21 -43.66 98.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.997 0.427 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -64.5 -41.77 96.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.67 91.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.497 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.401 HD13 HG23 ' A' ' 114' ' ' ILE . 96.1 mt -62.95 -45.24 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.424 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.57 -41.11 96.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.37 -38.74 92.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.535 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.488 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 74.6 m -62.97 -40.04 96.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.61 -33.83 62.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.421 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 27.5 m120 -69.98 -26.76 64.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.697 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.1 m -83.96 -12.18 55.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.644 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 117' ' ' SER . 82.8 m -92.77 -152.33 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.574 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.24 148.08 89.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -67.77 146.59 73.09 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.633 2.222 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 72.4 m -77.69 146.04 36.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.487 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.05 134.49 49.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.55 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.69 -35.48 81.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.646 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 84.6 p -74.92 -17.01 60.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.74 21.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.1 m -78.6 130.48 35.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.638 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -77.57 130.61 37.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 p . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.505 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.62 152.48 64.87 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.718 2.278 . . . . 0.0 111.907 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 33.4 tp -155.53 -66.36 0.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 72.0 32.1 63.71 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.569 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 93.5 p -66.65 156.2 35.84 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.592 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -75.76 147.42 39.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -77.84 153.38 32.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.0 mm -76.01 125.19 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 0.0 110.185 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.41 160.54 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.644 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.74 145.61 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.2 mmm -83.09 142.01 31.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.403 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.9 p -75.49 165.74 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.557 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.07 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.8 mp0 -62.86 -40.35 97.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.414 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -63.9 -39.76 94.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.697 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.88 -41.95 98.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.461 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.98 -46.29 89.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.667 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.9 87.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.2 -38.4 88.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.82 97.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.45 -37.22 80.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.436 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 62.0 mtt -63.74 -40.02 95.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.522 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -61.73 -40.87 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.013 0.435 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.02 -40.12 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.982 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.99 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.42 -43.08 99.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.498 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.21 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.136 0.494 . . . . 0.0 110.774 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -68.48 -22.55 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.34 -4.28 38.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.106 0.479 . . . . 0.0 111.105 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.66 131.09 35.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.048 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 103' ' ' GLU . 28.2 t-20 -79.59 116.62 19.9 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.684 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.3 p -77.44 -24.1 50.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.729 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -63.28 -38.15 90.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.534 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 53.1 tp10 -61.57 -42.52 98.96 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.81 -42.42 95.01 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.231 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.05 -41.06 97.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.33 -39.73 94.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.661 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.13 -42.01 98.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.236 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.93 -41.65 91.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.93 0.395 . . . . 0.0 110.049 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.49 -42.97 99.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -62.33 -41.84 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.208 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.86 -39.13 93.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.44 91.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.632 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -68.73 -42.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.859 0.362 . . . . 0.0 110.389 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.72 -40.04 95.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.1 m -63.44 -40.86 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.459 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.36 -35.63 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.725 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -68.85 -27.83 66.17 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -88.89 -5.38 58.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.44 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.7 m 56.2 48.92 16.39 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.495 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 48.11 78.45 0.4 Allowed Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.89 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.18 151.25 72.37 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 121.972 1.781 . . . . 0.0 112.055 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.1 p -70.4 161.76 29.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.458 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.74 162.6 13.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.496 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.47 -13.57 9.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.405 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 74.7 m -72.7 -21.22 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.672 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.76 28.18 0.43 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.735 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.6 p -91.7 150.36 21.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.377 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -98.52 126.18 43.99 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.371 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.472 -179.694 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -53.48 -38.49 83.28 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.811 2.341 . . . . 0.0 112.063 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -106.25 138.87 41.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 69.86 32.75 70.2 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 45.3 t -60.68 141.46 56.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.086 0.47 . . . . 0.0 110.58 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.39 155.37 40.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.583 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.05 150.48 33.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.025 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mm -74.16 126.01 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.376 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.05 169.76 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -65.78 140.59 58.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.441 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.06 132.45 36.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.473 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.428 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 72.0 p -78.08 164.84 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.396 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.42 -41.39 98.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -65.51 -40.26 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' H ' ' HG1' ' A' ' 80' ' ' THR . 42.2 tt0 -62.17 -42.41 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.521 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.88 -41.16 99.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.98 0.419 . . . . 0.0 110.048 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -63.64 -42.29 98.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.87 87.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.388 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.47 -39.91 94.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.482 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.96 -34.03 72.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.224 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -63.11 -41.96 99.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.417 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.15 -41.94 89.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.964 0.411 . . . . 0.0 110.411 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.9 m -66.61 -38.27 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.667 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.539 ' OE2' ' NE ' ' A' ' 97' ' ' ARG . 16.2 tm-20 -62.78 -41.77 99.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.02 -43.18 99.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.552 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.58 -25.45 66.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.167 0.508 . . . . 0.0 110.724 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.16 72.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.375 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.539 ' NE ' ' OE2' ' A' ' 93' ' ' GLU . 2.2 mpt_? -66.16 -26.12 67.27 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.466 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.44 -15.71 30.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.309 0.576 . . . . 0.0 110.667 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 79.0 t -83.19 140.1 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.692 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -54.74 152.57 6.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.25 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -59.94 -42.99 95.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.734 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.4 -42.13 92.92 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.631 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.2 -38.78 78.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.677 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.74 -42.12 99.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.419 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.42 -43.75 98.08 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.081 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.78 -44.54 95.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.542 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.16 -37.89 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.642 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.94 -41.82 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.385 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.94 -40.91 99.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.58 -41.04 80.22 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.568 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -61.47 -41.41 97.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.19 -39.07 93.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.07 -45.03 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.714 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -64.48 -40.52 95.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.4 p -64.4 -39.15 93.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.966 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.8 -35.86 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -80.15 -26.79 39.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.4 m -101.47 7.07 42.63 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.208 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.2 p -48.52 162.53 0.09 Allowed 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -138.33 129.52 15.6 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.446 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.94 148.03 75.48 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.993 1.796 . . . . 0.0 112.375 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.6 t -64.38 144.12 57.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.446 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.09 145.48 48.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.15 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 69.2 m -79.75 -17.15 54.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 79.04 22.93 0.58 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.7 m -76.89 132.25 39.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.725 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.414 ' C ' ' HG ' ' A' ' 131' ' ' SER . 23.5 mmm180 -76.96 139.46 40.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.48 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 130' ' ' ARG . 15.6 m . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.21 149.79 58.31 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.645 2.23 . . . . 0.0 112.043 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 48.4 mt 50.57 -153.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.546 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.16 2.78 90.66 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 72.7 m -64.02 144.16 57.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -72.08 152.8 42.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.735 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -67.1 149.51 50.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.363 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.562 ' N ' ' CD1' ' A' ' 76' ' ' ILE . 2.3 mp -90.63 125.69 43.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.26 141.39 41.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.653 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -83.39 138.27 33.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.447 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.3 mtt -74.29 147.52 42.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.623 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 60.2 p -69.97 159.5 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.8 -41.99 98.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.522 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -64.19 -43.27 95.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.623 ' H ' ' HG1' ' A' ' 80' ' ' THR . 51.8 tp10 -62.83 -43.76 97.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.335 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.16 -45.64 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.85 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' A' ' 91' ' ' MET . 61.3 tp -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.545 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.64 89.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.283 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.18 -36.88 85.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.658 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 94' ' ' GLN . 68.3 mttm -63.01 -41.72 99.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -65.61 -40.74 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.625 178.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -65.29 -37.84 88.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.489 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 97' ' ' ARG . 54.0 tp10 -61.82 -44.41 96.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 2.5 mp0 -64.02 -44.06 93.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.416 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.18 -36.05 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.357 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.46 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 93' ' ' GLU . 75.7 mmt-85 -62.9 -26.24 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.9 -13.54 57.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.126 0.489 . . . . 0.0 110.906 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t -82.74 144.45 10.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 101' ' ' SER . 52.9 t-20 -54.01 152.75 5.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.377 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.505 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 47.4 t -60.64 -45.56 93.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.731 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.71 -42.39 86.47 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.969 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -70.19 -39.86 74.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.468 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.85 -41.24 99.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.213 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -61.78 -45.31 94.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.235 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.21 -40.32 95.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.987 0.422 . . . . 0.0 110.408 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.29 -41.33 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.573 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 66.1 mm-40 -61.96 -40.8 96.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.29 -39.67 95.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.85 -37.27 62.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.734 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 60.1 ttp180 -62.81 -44.84 95.1 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -72.49 -34.66 67.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.61 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.92 -43.26 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.449 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.67 -38.89 92.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.486 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -62.78 -40.27 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.111 0.481 . . . . 0.0 110.525 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.93 -34.71 77.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.785 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -71.53 -27.32 63.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.3 m -91.61 -11.85 35.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 65.3 m -89.62 -177.13 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.467 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 24.9 mmt85 53.73 53.91 11.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.639 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 42.5 Cg_endo -67.41 144.43 67.5 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.659 2.239 . . . . 0.0 112.086 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.1 m -70.64 144.74 51.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.539 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -73.11 154.6 40.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.713 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.09 -24.67 66.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 69.5 m -78.77 -7.96 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 79.19 2.41 2.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 71.5 p -89.54 158.94 17.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -89.28 124.57 34.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.522 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.549 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 31.2 Cg_exo -59.57 146.02 96.39 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.926 2.417 . . . . 0.0 111.863 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.413 ' CD2' ' H ' ' A' ' -2' ' ' LEU . 0.1 OUTLIER -78.34 19.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.14 179.715 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' -3' ' ' PRO . . . 96.27 -22.72 38.33 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.6 m -74.69 145.55 43.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -69.94 151.6 45.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.289 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -58.81 149.86 25.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.562 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.403 HG22 HD13 ' A' ' 76' ' ' ILE . 30.4 mm -79.03 135.42 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.305 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.67 145.23 45.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.86 133.39 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.43 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.6 mtp -82.06 140.69 33.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.616 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 65.8 p -76.59 160.54 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.52 -42.49 98.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.616 ' H ' ' HG1' ' A' ' 80' ' ' THR . 88.4 tt0 -63.69 -42.92 97.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.467 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.27 -40.28 93.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.64 -44.33 97.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.386 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.33 97.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.726 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.08 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.385 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.27 97.81 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.63 -38.84 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -63.63 -41.53 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.504 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.3 mtt -63.63 -40.78 97.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.71 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.9 p -64.56 -38.59 91.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.649 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.46 -40.46 95.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -63.1 -42.46 99.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.457 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.38 -29.54 63.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.587 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' O ' ' OE1' ' A' ' 103' ' ' GLU . . . -63.62 -20.11 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.742 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -62.87 -26.92 69.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.57 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.21 -9.01 43.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.975 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.466 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 60.1 t -82.76 151.72 4.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.78 164.29 2.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.517 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -53.37 -18.7 2.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.621 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -56.84 -23.83 46.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.162 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' A' ' 99' ' ' VAL . 10.8 pt-20 -59.66 -29.5 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.185 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -62.86 -41.9 99.55 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.321 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -65.23 -40.08 93.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.131 0.491 . . . . 0.0 110.24 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.37 -40.64 97.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.492 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.33 -39.44 90.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.142 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.15 -41.47 98.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.315 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.35 -41.75 89.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.72 -40.79 95.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.1 0.476 . . . . 0.0 110.293 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -40.32 92.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.377 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.48 -37.43 87.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.421 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.91 91.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.508 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.23 -41.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.122 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.23 92.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.83 -35.47 81.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.1 m -63.15 -22.78 67.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.84 -35.51 78.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.678 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -90.65 -24.77 20.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.71 0.291 . . . . 0.0 110.573 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.3 m -95.1 -2.07 50.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.505 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 37.0 m 57.17 -162.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -132.69 76.13 71.86 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.451 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.09 141.13 80.31 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.636 2.224 . . . . 0.0 111.863 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.4 t -63.49 145.55 55.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.507 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -55.81 143.38 31.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.552 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.8 -20.75 62.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.555 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 73.3 m -72.77 -19.5 61.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.515 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 79.43 -18.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.408 ' H ' ' C ' ' A' ' 127' ' ' SER . 63.2 p -80.77 158.65 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.691 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -78.51 139.65 38.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.582 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' A' ' 131' ' ' SER . 53.1 p . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.62 -16.51 55.6 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.965 2.443 . . . . 0.0 111.919 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 99.2 mt -60.46 -31.16 70.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.401 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 75.8 24.64 69.16 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.0 t -60.88 140.72 57.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.587 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -64.8 142.54 58.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.681 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -58.23 148.48 27.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.64 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.418 HD13 HG23 ' A' ' 76' ' ' ILE . 92.7 mt -88.52 127.18 41.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.399 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.62 168.42 19.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.34 145.97 36.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.425 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtm -68.84 135.0 50.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.429 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.461 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 72.8 p -78.37 165.55 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.07 -39.29 91.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.96 -43.07 99.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' H ' ' HG1' ' A' ' 80' ' ' THR . 96.8 mt-10 -63.59 -43.09 97.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.471 . . . . 0.0 110.767 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.85 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.118 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.72 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.37 -39.69 93.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.298 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.39 89.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.099 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.32 -39.12 93.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -63.0 -40.55 98.11 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.505 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.3 mmm -64.7 -42.08 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.356 0.598 . . . . 0.0 110.229 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -66.62 -31.71 72.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.35 -43.83 96.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.17 -42.05 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -73.36 -32.09 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.652 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.61 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.586 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -62.16 -26.81 68.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.596 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -87.41 -12.95 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.1 t -82.91 155.79 3.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.614 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 101' ' ' SER . 39.3 t-20 -50.58 153.44 1.63 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.206 0.527 . . . . 0.0 110.135 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.536 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 74.0 m -57.23 -23.11 45.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.627 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.26 -41.52 97.07 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.341 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -69.74 -39.45 76.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -62.18 -42.41 99.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.509 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.73 -42.29 99.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.856 0.36 . . . . 0.0 110.564 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.41 -41.07 96.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.345 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.6 -40.18 96.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.571 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.75 -41.05 97.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.4 -41.15 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.817 0.817 . . . . 0.0 110.324 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.25 -37.46 71.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -60.33 -42.42 95.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -69.88 -33.23 71.96 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.785 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.74 96.37 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.561 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.3 mm -69.97 -40.87 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.359 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.06 96.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.544 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.81 -40.09 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.232 0.539 . . . . 0.0 110.361 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.15 -35.42 79.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.444 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -70.87 -28.03 64.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.573 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.6 m -86.77 -14.92 40.9 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.564 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 45.8 t -60.57 -39.51 88.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.25 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -57.14 148.36 51.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.864 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.79 150.57 78.94 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.593 2.195 . . . . 0.0 112.159 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.1 p -74.15 164.38 26.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.476 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 44.9 p-10 -58.49 127.56 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.69 78.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.735 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 74.1 m -73.81 -21.26 60.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.632 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.85 -10.69 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.383 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.43 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 63.7 p -80.77 158.58 25.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -76.52 139.33 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.507 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.518 179.915 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.13 149.87 65.15 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.641 2.227 . . . . 0.0 111.77 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.1 tp -134.18 129.16 35.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.223 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 119.81 86.84 1.01 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 35.7 t -68.79 140.28 55.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.88 0.371 . . . . 0.0 110.613 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -66.77 153.16 44.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.563 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.16 152.49 45.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.319 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.422 HD12 HG23 ' A' ' 76' ' ' ILE . 89.4 mt -71.03 130.42 34.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.541 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.57 171.18 11.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.728 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -56.95 143.01 39.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.308 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.6 OUTLIER -69.65 131.62 44.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.2 p -78.39 164.48 24.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.687 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -61.98 -34.98 77.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.07 -37.15 83.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -64.75 -40.46 95.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.598 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.01 -41.63 99.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.88 -46.95 87.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.03 89.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.22 -41.87 97.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.38 96.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 110.473 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 110.398 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -63.33 -40.08 96.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.135 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.89 -41.0 99.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.5 m -63.1 -40.52 97.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.02 -39.93 95.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.478 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 95.5 mm-40 -63.26 -39.6 95.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.82 -39.94 90.87 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.263 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.93 93.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.09 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.53 -18.86 39.99 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.478 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -88.71 10.34 21.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.108 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.53 136.84 24.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.137 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -55.01 123.91 15.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.509 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.2 m -67.78 -21.51 65.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.399 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -61.03 -29.81 69.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.335 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.71 -42.86 98.06 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -66.43 -40.84 89.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.988 0.423 . . . . 0.0 110.294 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.5 -39.57 94.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.52 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -61.17 -40.6 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.444 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.56 -42.26 98.57 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.021 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.17 -41.84 99.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.53 -40.06 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.142 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.0 -40.78 98.78 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.425 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -63.39 -41.29 98.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.52 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.77 92.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.614 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.441 ' O ' ' OG ' ' A' ' 117' ' ' SER . 97.0 mt -62.72 -44.1 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.35 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.06 92.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.399 . . . . 0.0 110.537 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.73 -38.81 92.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.544 ' HG ' ' N ' ' A' ' 118' ' ' LEU . 92.8 p -63.45 -38.28 90.52 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.609 -179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.544 ' N ' ' HG ' ' A' ' 117' ' ' SER . 9.2 mp -71.3 -34.29 70.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.061 0.457 . . . . 0.0 110.18 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 119' ' ' ASN . 60.7 t-20 -67.84 -26.11 65.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 t -75.7 -9.63 58.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.689 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 m 66.52 85.06 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 tpt85 -129.61 81.5 69.5 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.003 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.23 142.69 87.04 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.721 2.281 . . . . 0.0 111.922 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.3 t -63.48 148.73 47.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.397 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -57.73 144.83 36.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.36 -32.82 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 95.7 p -72.57 -18.24 61.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.787 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.85 12.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 110.409 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 80.8 p -76.81 158.78 30.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -76.07 139.56 41.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.509 -179.791 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.401 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 59.0 Cg_endo -70.07 147.78 61.64 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.674 2.25 . . . . 0.0 111.804 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 63.0 mt -110.05 119.17 38.45 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.171 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.07 99.5 0.09 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.4 m -71.59 140.97 50.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 110.41 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -79.41 149.24 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -67.32 145.05 55.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.57 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.422 HD11 HG23 ' A' ' 76' ' ' ILE . 92.2 mt -76.68 130.6 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.492 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 146.1 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.91 140.16 58.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.7 mtt -71.1 145.06 50.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -74.64 161.48 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.94 -43.83 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.62 -40.91 98.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.38 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.54 -42.8 99.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.504 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -62.34 -44.82 95.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.47 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.82 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.04 -40.36 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.23 96.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.63 -37.39 86.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.856 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.76 -41.06 99.04 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.063 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.6 mtt -64.2 -41.36 97.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 0.0 110.309 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.477 ' CB ' HH12 ' A' ' 111' ' ' ARG . 74.8 m -65.72 -39.4 91.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.895 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.17 -41.61 99.26 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -62.97 -43.2 99.45 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.54 -37.25 74.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.836 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.66 -27.44 69.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.768 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -63.19 -26.11 68.65 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.81 -5.99 54.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.113 0.482 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.61 139.51 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -55.57 154.58 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.305 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.3 t -59.91 -44.26 94.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.138 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -68.33 -42.01 79.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.904 0.383 . . . . 0.0 110.765 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -68.24 -39.18 82.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.084 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -61.81 -41.33 97.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.322 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.79 -46.37 89.85 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.405 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -68.77 -42.09 77.91 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.586 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -64.23 -40.66 96.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.588 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.96 -45.0 95.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.598 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.91 -42.87 97.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.477 HH12 ' CB ' ' A' ' 92' ' ' SER . 11.7 tpt180 -61.49 -40.36 94.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -61.91 -40.76 96.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.57 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.601 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.7 mm -65.92 -45.5 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.73 98.96 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.28 -40.63 94.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.3 p -64.2 -38.82 92.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.924 0.393 . . . . 0.0 110.709 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.523 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 85.0 mt -68.31 -35.3 77.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -73.71 -27.64 61.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.431 . . . . 0.0 110.483 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 122' ' ' ARG . 90.1 p -93.35 -5.34 49.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 118' ' ' LEU . 8.5 p -70.01 3.74 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.383 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.434 ' H ' ' C ' ' A' ' 120' ' ' SER . 45.0 mmm-85 60.52 61.05 3.54 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.03 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.26 149.33 81.33 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.385 2.057 . . . . 0.0 112.144 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 t -63.77 145.34 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.486 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -61.2 149.21 38.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.597 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.92 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.508 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 21.7 t -73.72 -12.06 60.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.597 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 79.86 -4.06 1.97 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.444 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 58.7 p -80.6 158.5 25.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -78.87 138.04 37.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.439 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.24 -23.72 44.82 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.769 2.313 . . . . 0.0 111.95 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 67.9 mt 45.59 -157.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.18 1.66 90.11 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 80.4 p -70.67 158.9 35.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 0.0 110.587 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -69.93 152.01 44.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.45 153.29 41.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.621 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.48 132.89 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.35 53.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.516 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -70.73 136.82 49.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.447 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.0 mtm -85.52 149.31 25.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -74.23 159.57 32.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.33 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.7 -41.54 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -64.3 -42.36 96.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -63.5 -41.96 98.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -61.24 -47.04 87.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.86 90.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.374 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -40.92 98.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.195 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.67 -40.12 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -63.0 -41.23 99.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.506 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.4 -41.1 85.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.68 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.6 m -64.22 -38.38 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.35 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.42 -42.85 99.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.411 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.99 -42.0 99.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.69 -35.95 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.297 0.57 . . . . 0.0 110.591 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.75 -37.0 80.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.86 -27.69 69.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.565 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.45 -14.99 34.14 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.113 0.483 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.5 t -82.33 152.19 4.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.888 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -53.89 151.37 6.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.201 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.8 m -60.55 -43.85 96.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.849 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -65.65 -42.2 91.69 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.268 0.556 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -70.7 -37.5 73.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' OE2' ' OE2' ' A' ' 108' ' ' GLU . 16.5 tm-20 -62.59 -41.52 99.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.443 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.67 -41.66 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.272 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.27 -38.83 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.477 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.62 -37.55 87.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.292 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.425 ' OE2' ' OE2' ' A' ' 104' ' ' GLU . 95.0 mt-10 -61.01 -45.09 96.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 109' ' ' LEU . 4.1 mm? -68.16 -39.97 82.45 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.605 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.39 -44.18 95.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.406 HH21 ' CG ' ' A' ' 108' ' ' GLU . 90.0 mtm180 -66.13 -39.83 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -61.17 -43.82 98.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.05 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.7 mm -63.59 -45.58 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.23 97.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.38 -40.75 98.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.8 m -64.32 -39.67 94.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.25 -35.88 78.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.906 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -78.34 -19.29 53.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.0 p -90.38 1.39 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.64 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.98 -117.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.638 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 28.2 ttm-85 -69.51 -40.16 13.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.567 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 49.9 Cg_exo -57.33 140.15 92.17 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.59 2.193 . . . . 0.0 112.119 -179.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 87.4 p -72.37 160.57 32.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.622 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 126' ' ' ALA . 66.9 t0 -67.36 135.61 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.753 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.462 ' N ' ' OD1' ' A' ' 125' ' ' ASP . . . -60.53 -34.34 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.463 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 96.3 p -73.67 -19.17 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.347 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.76 -47.51 0.42 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.4 p -86.5 158.51 19.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -90.06 135.24 33.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.415 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.516 -179.896 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.67 142.28 95.76 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.929 2.42 . . . . 0.0 111.938 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 64.6 mt 54.3 -130.89 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.96 1.39 90.64 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 30.2 t -63.87 143.69 57.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 110.393 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -60.77 133.2 55.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.619 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -60.59 147.56 41.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.534 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.42 HG22 HD12 ' A' ' 76' ' ' ILE . 29.3 mm -92.55 130.52 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.375 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.06 166.7 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.429 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -56.53 127.39 31.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.307 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 79' ' ' MET . 3.3 mpp? -83.11 140.16 32.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.601 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -76.42 165.06 25.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -61.66 -42.63 99.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.15 -42.71 99.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.137 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.95 -40.42 96.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -61.31 -46.48 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.49 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.45 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.6 -42.2 98.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.135 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.1 89.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.29 -39.76 95.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -63.83 -38.82 92.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.133 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.2 mmm -61.94 -41.56 98.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.397 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.4 m -63.45 -40.16 96.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.35 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.95 -40.43 96.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -61.74 -39.18 90.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.162 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.28 -41.4 96.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.93 -38.01 79.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 110.54 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -68.64 -18.92 64.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.845 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -73.55 -13.68 61.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.6 t -81.58 128.24 38.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.092 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -84.5 120.88 26.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.947 0.403 . . . . 0.0 110.667 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.5 m -75.11 -27.66 59.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.336 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -68.87 -36.32 77.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.1 -44.08 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.689 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.11 -36.57 66.77 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.573 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.64 -43.1 94.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.368 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.7 -40.24 96.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.341 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.69 -40.4 94.86 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.667 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.11 -41.98 99.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.976 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.03 -41.24 82.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.44 -40.35 93.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.354 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.74 -40.86 96.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' A' ' 116' ' ' GLU . 26.5 ttpp -62.37 -42.47 99.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.72 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.54 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.27 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 110.135 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.02 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.592 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 112' ' ' LYS . 98.6 mt-10 -62.46 -38.37 89.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -62.6 -42.3 99.49 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.328 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.61 -34.11 71.78 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.537 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 119' ' ' ASN . 45.4 t-20 -67.99 -28.75 67.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.568 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.8 p -88.95 -16.19 32.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.399 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.2 t 42.38 68.27 0.5 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.7 mtm105 -68.1 148.44 98.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.81 145.52 69.11 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.53 2.154 . . . . 0.0 112.163 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.7 t -72.69 145.27 47.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.478 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -77.58 121.53 24.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.712 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.86 79.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 36.3 t -74.06 -23.46 59.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.714 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 79.21 0.57 2.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.235 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.6 p -82.75 159.01 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -87.45 125.36 34.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.134 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.502 179.924 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.77 145.22 62.19 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.868 2.379 . . . . 0.0 111.925 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' -2' ' ' LEU . 9.8 mp -63.82 -41.72 97.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 68.42 30.38 73.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.8 p -67.2 157.73 33.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.525 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -72.13 150.31 43.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -60.28 146.51 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.2 mt -78.81 128.96 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.46 162.06 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.593 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -73.84 132.72 42.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 141.71 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' A' ' 83' ' ' GLU . 82.1 p -77.81 162.92 26.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.47 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.86 -41.46 99.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.708 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.492 ' H ' ' HG1' ' A' ' 80' ' ' THR . 95.9 mt-10 -64.07 -40.69 96.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -62.95 -41.65 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.93 -47.27 85.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.77 82.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.403 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.45 -41.05 96.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.01 94.21 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.537 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 92' ' ' SER . 4.2 mm? -65.75 -40.06 91.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.807 179.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -63.51 -40.84 98.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.341 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.4 mtp -62.72 -40.56 97.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 91.7 p -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.087 0.47 . . . . 0.0 110.479 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.56 -39.45 93.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.21 -39.25 94.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.377 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.89 -42.79 98.69 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.352 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.82 92.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.57 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -71.31 -19.64 62.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -79.22 2.98 19.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -71.08 129.1 34.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.2 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -84.78 120.79 26.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.134 0.492 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.0 t -65.33 -24.24 67.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.451 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -60.6 -34.42 74.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.51 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.37 -42.43 98.69 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.994 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.78 -42.19 82.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.142 0.496 . . . . 0.0 110.567 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -62.7 -32.11 73.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.334 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.9 -35.14 70.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.245 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.12 -40.66 94.6 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 108' ' ' GLU . 1.2 mp0 -64.65 -39.39 93.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.97 -40.77 96.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.797 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.3 -42.98 99.11 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.402 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.31 -42.53 99.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.21 -39.82 89.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.698 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.43 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.433 ' O ' ' OG ' ' A' ' 117' ' ' SER . 5.9 mm -62.9 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.286 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -40.12 95.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 114' ' ' ILE . 90.7 p -63.91 -39.48 94.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.35 -35.92 78.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.34 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -79.29 -24.49 42.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.53 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.2 t -78.42 -18.92 54.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 43.8 m 51.65 -145.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.441 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.45 ' CB ' ' CD ' ' A' ' 123' ' ' PRO . 11.5 mtm105 -160.06 -62.7 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.133 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 122' ' ' ARG . 36.9 Cg_endo -61.8 142.68 94.49 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.24 1.96 . . . . 0.0 112.344 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -71.96 147.23 47.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.41 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.04 134.93 57.43 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.418 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.07 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.783 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 129' ' ' THR . 82.5 p -74.62 -21.34 59.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.37 -25.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 127' ' ' SER . 96.4 m -74.91 130.09 38.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -87.89 126.96 35.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.336 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.451 179.62 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' A' ' -2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.39 19.39 0.38 Allowed 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.71 2.273 . . . . 0.0 112.028 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' -4' ' ' GLY . 94.4 mt -60.96 -39.29 89.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.464 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 70.77 29.81 69.01 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.0 m -60.72 142.48 55.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -74.32 137.42 42.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.702 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -67.45 148.56 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.458 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.0 mt -79.48 125.84 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.02 152.57 29.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -68.59 131.2 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.2 mmt -88.11 140.18 29.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.1 p -78.07 162.9 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' GLU . 22.3 pt-20 -62.94 -40.8 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 81' ' ' GLU . 98.9 mt-10 -64.72 -40.86 96.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.542 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.63 -40.57 92.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.51 -40.76 95.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.419 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.5 -46.88 88.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.54 93.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.7 -39.23 93.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.719 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.55 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 92' ' ' SER . 86.7 mt -64.4 -38.88 92.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.081 0.467 . . . . 0.0 110.44 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -64.55 -39.07 93.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 89' ' ' LEU . 88.0 p -63.2 -39.62 95.15 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.279 0.562 . . . . 0.0 110.417 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.83 -39.58 93.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.431 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.7 -39.38 93.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.88 -41.5 96.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.109 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.82 78.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.278 0.561 . . . . 0.0 110.712 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -71.93 -17.07 62.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -74.46 -4.48 36.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.5 t -72.07 129.0 35.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -84.45 120.39 26.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.184 0.516 . . . . 0.0 110.708 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.9 t -74.9 -26.2 59.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.545 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.54 -36.97 82.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.655 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.2 -42.31 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.184 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.75 -40.3 88.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.057 0.456 . . . . 0.0 110.485 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.55 -39.44 91.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.06 -42.4 98.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.399 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.26 -41.6 98.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.481 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.9 -42.22 97.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.515 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.33 -39.38 92.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.21 -43.69 98.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.4 -40.89 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -63.76 -43.06 97.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.535 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.13 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.579 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.416 HG21 HD12 ' A' ' 114' ' ' ILE . 96.2 mt -63.11 -45.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.429 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.44 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 120' ' ' SER . 97.9 mt-10 -63.77 -38.61 91.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 67.4 m -62.3 -40.1 95.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.722 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.31 -33.46 55.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.546 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -83.13 -20.28 35.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.765 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 116' ' ' GLU . 80.1 p -85.59 3.88 38.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.693 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 117' ' ' SER . 29.3 p -144.03 147.02 33.27 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.3 ttp-105 -171.86 74.72 0.49 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -56.94 139.91 90.84 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.589 2.193 . . . . 0.0 112.068 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.2 t -75.51 145.11 41.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.682 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.39 146.68 54.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.461 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.27 75.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.748 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 128' ' ' ALA . 88.4 p -74.92 -11.13 60.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.813 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 78.96 -11.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 62.9 p -78.96 159.0 27.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.485 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -98.53 127.11 44.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.539 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.662 -179.869 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.487 ' H2 ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.515 ' C ' ' H ' ' A' ' -1' ' ' GLY . 52.8 Cg_exo -56.54 138.84 86.05 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.609 2.206 . . . . 0.0 111.871 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 5.2 tp 52.14 8.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.721 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' -3' ' ' PRO . . . 81.75 3.89 90.48 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.4 t -62.81 139.77 58.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.699 0.285 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -67.23 129.29 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -64.37 153.16 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.487 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' ' 76' ' ' ILE . 2.1 mp -79.41 127.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.4 146.19 55.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.067 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -66.15 145.97 55.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.9 mtp -73.11 144.65 46.9 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.424 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -75.06 163.49 27.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.409 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.04 -38.45 88.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.774 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.79 -42.47 97.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.811 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.14 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.686 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -62.25 -40.47 96.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.16 -46.27 91.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.67 95.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.24 -37.3 86.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.223 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.08 95.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.282 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.48 -39.15 93.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -63.69 -41.19 98.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.443 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.5 mmt -64.36 -40.12 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -41.33 98.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.47 -39.51 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.456 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.71 -42.36 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.614 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -71.41 -30.45 66.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.474 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.54 -20.34 65.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -63.36 -25.3 68.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.577 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.77 -13.33 60.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.2 t -82.25 135.83 24.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.613 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.86 151.04 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.315 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.3 m -60.64 -41.8 95.64 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.993 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.475 ' O ' ' OE1' ' A' ' 106' ' ' GLU . 8.9 pt20 -61.11 -41.99 97.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.501 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -71.31 -34.29 70.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.391 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -61.52 -32.84 72.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.693 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.69 -43.37 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.84 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' A' ' 102' ' ' GLN . 60.3 mp0 -67.51 -39.86 85.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 110.488 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.11 -39.32 93.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.484 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.74 -40.78 98.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.66 -41.1 98.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.576 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.9 -40.14 83.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -64.38 -39.02 93.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.561 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -62.5 -42.33 99.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.481 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.27 96.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.955 0.407 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.92 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.99 93.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.513 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.11 -40.1 96.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.72 -39.82 95.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.651 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.18 -36.5 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.587 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -73.6 -27.68 61.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.783 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.8 m -88.73 -10.93 46.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.9 t 63.18 -174.56 0.15 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.433 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -100.07 153.65 37.65 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.582 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.71 141.75 74.89 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.888 1.725 . . . . 0.0 111.934 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 t -63.63 149.31 46.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.432 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -53.79 128.5 30.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.58 76.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.52 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 129' ' ' THR . 72.1 m -74.06 -22.7 59.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.654 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 127' ' ' SER . . . 77.61 -36.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.414 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.462 ' H ' ' C ' ' A' ' 127' ' ' SER . 92.9 m -93.21 123.78 36.72 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.174 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -76.84 136.88 38.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.525 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.442 179.855 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.447 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.846 0.355 . . . . 0.0 110.629 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -78.08 167.2 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.47 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.43 -42.66 96.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.024 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.85 -38.7 92.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.977 0.418 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.05 -40.84 98.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.456 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -60.83 -42.57 98.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.429 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -64.06 -40.55 96.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.105 0.478 . . . . 0.0 109.825 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.3 91.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.978 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.07 -38.71 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.46 95.37 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.282 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.5 -38.72 81.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.315 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.68 -41.04 98.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.36 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.89 -40.84 98.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -61.82 -41.89 98.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.18 0.514 . . . . 0.0 110.381 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.12 -41.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.139 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.05 -39.53 95.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.53 -40.82 92.91 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.505 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.98 79.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.269 0.556 . . . . 0.0 110.75 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -73.57 -13.04 60.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -75.92 -3.07 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.202 179.609 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.992 0.425 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.88 -38.35 90.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.61 -43.75 98.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -62.14 -41.68 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.963 0.411 . . . . 0.0 110.441 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -70.35 -35.76 73.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.621 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.25 79.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.504 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.32 -46.7 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.163 0.506 . . . . 0.0 110.422 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.5 -37.11 85.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.8 t -61.2 -40.42 93.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.214 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.018 179.291 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.0 p -79.42 167.23 21.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.542 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.81 -40.08 91.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.543 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.96 -42.18 99.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.585 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -66.68 -39.83 88.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.18 -42.03 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.41 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.13 -47.83 84.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.96 93.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.632 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 87' ' ' LEU . 1.3 tt -62.64 -41.18 98.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.176 0.513 . . . . 0.0 110.502 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.94 95.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.12 -36.38 79.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.45 -42.08 99.21 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.194 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.07 -39.14 89.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.463 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.2 p -63.76 -38.64 91.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.23 -40.64 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.36 -42.62 98.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 99' ' ' VAL . 99.6 mt-10 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.395 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.41 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.5 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -72.88 -27.69 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -99.49 -20.25 16.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.334 0.588 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 95' ' ' GLU . 60.7 t . . . . . 0 C--N 1.314 -0.971 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.78 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.82 0.343 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.51 -39.0 92.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.28 -44.38 96.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -62.69 -40.91 98.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.28 -42.32 98.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.34 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.45 91.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.26 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.975 0.416 . . . . 0.0 110.523 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.75 96.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.627 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.56 -39.19 92.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.3 m -62.59 -39.86 95.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.69 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.526 ' C ' HE22 ' A' ' 84' ' ' GLN . 25.8 mmt . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.853 0.359 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.554 ' O ' ' NE2' ' A' ' 84' ' ' GLN . 59.9 p -77.37 166.14 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -60.94 -36.49 79.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.87 -40.61 95.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.67 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.668 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 80' ' ' THR . 1.1 mp0 -64.91 -41.82 95.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.723 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -61.49 -46.81 88.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.654 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.22 82.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.11 -42.48 98.61 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.833 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.73 97.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.429 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -68.83 -38.35 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.654 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.4 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.149 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.21 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.515 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 t -62.46 -41.92 99.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.053 0.454 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.59 -40.17 95.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -62.18 -40.45 96.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.35 -40.98 96.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.41 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.94 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -69.78 -24.32 63.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -74.23 -6.97 50.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.033 179.512 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.914 0.388 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.16 -36.99 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.57 -43.74 98.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -61.74 -39.75 92.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.47 -39.43 93.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.496 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.19 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.351 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.73 -40.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.796 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.18 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.243 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -39.25 84.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.787 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.821 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.375 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.1 p -78.25 166.82 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.698 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.42 -40.79 95.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.64 -39.93 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -63.26 -41.62 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.01 -42.54 98.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.42 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.91 -46.43 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.63 91.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.29 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 87' ' ' LEU . 1.1 tt -61.94 -40.06 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.198 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.27 90.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.205 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.73 -37.67 88.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.752 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.91 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.604 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.429 ' O ' ' OE2' ' A' ' 95' ' ' GLU . 75.1 mtm -64.46 -40.37 95.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.777 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -61.84 -38.16 87.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.343 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.67 -42.35 98.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -61.57 -41.64 97.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.221 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.37 84.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.142 0.496 . . . . 0.0 110.841 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -65.54 -23.66 66.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -72.44 -12.31 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 C--N 1.317 -0.815 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.317 179.425 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.847 0.356 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.1 -41.92 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -42.19 98.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.458 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.66 -40.91 98.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.49 -43.26 99.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.24 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.272 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.1 -45.37 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.24 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -63.36 -40.46 97.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.1 p -64.89 -39.44 93.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.531 ' SD ' ' NE2' ' A' ' 84' ' ' GLN . 21.5 ptp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.1 p -76.39 165.65 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.41 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -61.8 -38.48 88.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.607 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.459 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -64.19 -38.89 92.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.531 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 26.3 mm-40 -60.74 -43.39 98.01 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.569 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -61.92 -47.81 83.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.471 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.94 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.427 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' O ' ' SD ' ' A' ' 91' ' ' MET . 60.5 tp -61.01 -42.21 98.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.511 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.16 89.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.23 -39.1 93.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.781 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.78 -39.17 93.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.419 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.57 ' SD ' ' N ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -62.57 -42.22 99.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.659 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.6 p -62.89 -39.85 95.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.298 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -66.78 -41.52 87.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.767 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 88.0 mt-30 -62.32 -40.93 97.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.3 -40.87 95.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.05 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 110.688 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -81.21 -20.97 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.5 OUTLIER -87.9 10.31 19.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 96' ' ' ALA . 76.5 t . . . . . 0 C--N 1.321 -0.66 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.77 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.54 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 50.4 tp10 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.677 0.275 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.69 -39.01 93.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.429 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -63.41 -44.02 95.83 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.471 -179.09 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 89.9 mtm180 -64.41 -39.51 93.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -61.77 -42.05 98.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.0 97.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.51 -44.16 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.86 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.18 -38.54 91.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -62.88 -40.17 96.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 118' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.899 0.381 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.1 p -77.49 165.86 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.396 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.49 -43.58 98.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.701 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.94 -43.4 88.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.557 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -66.32 -39.37 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.758 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.07 -42.59 98.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.066 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.09 -49.2 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.779 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.51 97.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.36 -38.88 92.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.693 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.21 94.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.548 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -71.61 -42.7 67.36 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.101 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -66.88 -39.59 87.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.818 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.3 mmt -62.93 -41.55 99.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -62.5 -40.14 95.76 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.587 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.7 -42.67 70.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -62.65 -42.18 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.13 -39.06 91.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.44 90.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -72.77 -24.64 60.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -73.68 -10.6 59.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.189 0.518 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.313 -1.012 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.699 179.461 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.26 -36.48 82.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.54 -45.11 95.56 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.174 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -62.74 -39.64 94.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.309 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.34 -40.32 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.445 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.42 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.9 mm -63.89 -44.95 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.51 97.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.69 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.7 -39.44 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.6 t -63.17 -41.25 99.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.928 0.394 . . . . 0.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.852 0.358 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -78.06 165.19 24.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -62.25 -37.48 85.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.92 -41.76 98.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.81 -40.93 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.691 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.73 -41.65 98.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.58 -46.8 88.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.256 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -42.45 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.344 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.44 96.33 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.761 -0.375 . . . . 0.0 110.643 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.35 -36.84 82.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.252 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.49 -41.76 99.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.72 -40.83 97.72 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.767 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.6 p -64.58 -38.93 92.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.76 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.89 -39.97 94.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.03 -40.73 98.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.79 -40.95 97.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 0.0 110.534 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.99 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -80.9 -9.35 59.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.08 6.35 6.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.4 . . . . 0.0 110.256 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.019 179.534 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.72 0.295 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.88 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.94 -40.17 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.105 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -62.31 -41.42 98.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 0.0 109.685 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.94 -42.69 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.917 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.473 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.84 -43.38 98.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.316 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.07 93.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -39.58 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.91 -40.57 97.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.484 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.331 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 79' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.787 0.327 . . . . 0.0 110.679 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.7 p -77.92 165.81 23.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.515 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 12.8 pm0 -59.81 -34.33 72.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.22 -40.6 94.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' O ' HD13 ' A' ' 87' ' ' LEU . 98.6 mt-10 -65.88 -39.05 90.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.313 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.77 -44.54 93.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.08 93.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 83' ' ' GLU . 6.0 mp -61.94 -40.24 94.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.496 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.95 96.38 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.257 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.98 -38.09 87.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.451 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.71 -40.6 97.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.627 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.11 -40.4 97.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -62.85 -40.71 98.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.435 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 24.0 mm100 -62.26 -40.93 97.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.5 -41.77 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.304 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.76 87.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.145 0.497 . . . . 0.0 110.722 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -67.73 -25.18 65.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -75.44 1.74 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.478 -179.747 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.354 179.733 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.26 -39.09 93.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.357 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.21 -43.66 98.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.997 0.427 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -64.5 -41.77 96.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.67 91.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.497 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.95 -45.24 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.11 96.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.37 -38.74 92.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.535 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.6 m -62.97 -40.04 96.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.421 179.69 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.2 mmm . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.756 0.313 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.9 p -75.49 165.74 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.557 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.07 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.8 mp0 -62.86 -40.35 97.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.414 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -63.9 -39.76 94.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.697 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.88 -41.95 98.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.461 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.98 -46.29 89.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.667 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.9 87.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.2 -38.4 88.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.82 97.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.45 -37.22 80.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.436 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 62.0 mtt -63.74 -40.02 95.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.522 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -61.73 -40.87 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.013 0.435 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.02 -40.12 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.982 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.99 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.42 -43.08 99.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.498 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.21 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.136 0.494 . . . . 0.0 110.774 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -68.48 -22.55 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.34 -4.28 38.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.106 0.479 . . . . 0.0 111.105 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.048 179.414 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.744 0.307 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.93 0.395 . . . . 0.0 110.049 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.49 -42.97 99.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -62.33 -41.84 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.208 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.86 -39.13 93.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.44 91.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.632 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -68.73 -42.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.859 0.362 . . . . 0.0 110.389 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.72 -40.04 95.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.1 m -63.44 -40.86 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.459 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.725 179.655 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.881 0.372 . . . . 0.0 110.473 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -78.08 164.84 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.396 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.42 -41.39 98.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -65.51 -40.26 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.17 -42.41 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.521 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.403 HE21 ' HG3' ' A' ' 79' ' ' MET . 96.3 mt-30 -62.88 -41.16 99.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.98 0.419 . . . . 0.0 110.048 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -63.64 -42.29 98.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.87 87.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.388 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.47 -39.91 94.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.482 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.96 -34.03 72.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.224 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -63.11 -41.96 99.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.417 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.15 -41.94 89.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.964 0.411 . . . . 0.0 110.411 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.9 m -66.61 -38.27 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.667 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.539 ' OE2' ' NE ' ' A' ' 97' ' ' ARG . 16.2 tm-20 -62.78 -41.77 99.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.02 -43.18 99.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.552 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 99' ' ' VAL . 78.9 mm-40 -66.58 -25.45 66.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.167 0.508 . . . . 0.0 110.724 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.16 72.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.375 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.539 ' NE ' ' OE2' ' A' ' 93' ' ' GLU . 2.2 mpt_? -66.16 -26.12 67.27 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.466 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.44 -15.71 30.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.309 0.576 . . . . 0.0 110.667 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 95' ' ' GLU . 79.0 t . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.692 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.597 0.237 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.94 -40.91 99.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.58 -41.04 80.22 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.568 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -61.47 -41.41 97.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.19 -39.07 93.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.07 -45.03 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.714 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -64.48 -40.52 95.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.4 p -64.4 -39.15 93.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.966 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.74 0.305 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.2 p -69.97 159.5 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.8 -41.99 98.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.522 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -64.19 -43.27 95.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -62.83 -43.76 97.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.335 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.16 -45.64 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.85 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' A' ' 91' ' ' MET . 61.3 tp -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.545 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.64 89.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.283 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.18 -36.88 85.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.658 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 94' ' ' GLN . 68.3 mttm -63.01 -41.72 99.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.609 ' SD ' ' N ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -65.61 -40.74 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.625 178.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -65.29 -37.84 88.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.489 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 97' ' ' ARG . 54.0 tp10 -61.82 -44.41 96.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 2.5 mp0 -64.02 -44.06 93.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.416 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.18 -36.05 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.357 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.46 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 93' ' ' GLU . 75.7 mmt-85 -62.9 -26.24 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.9 -13.54 57.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.126 0.489 . . . . 0.0 110.906 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.893 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 66.1 mm-40 . . . . . 0 CA--C 1.524 -0.047 0 CA-C-O 120.513 0.197 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.29 -39.67 95.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.85 -37.27 62.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.734 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 60.1 ttp180 -62.81 -44.84 95.1 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -72.49 -34.66 67.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.61 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.92 -43.26 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.449 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.67 -38.89 92.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.486 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -62.78 -40.27 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.111 0.481 . . . . 0.0 110.525 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.785 179.706 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.792 0.33 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.8 p -76.59 160.54 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.52 -42.49 98.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.69 -42.92 97.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.467 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.27 -40.28 93.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' A' ' 89' ' ' LEU . 58.8 t80 -61.64 -44.33 97.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.386 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.33 97.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.726 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.08 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.385 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.27 97.81 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.3 mt -66.63 -38.84 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -63.63 -41.53 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.504 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.3 mtt -63.63 -40.78 97.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.71 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.9 p -64.56 -38.59 91.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.649 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.46 -40.46 95.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -63.1 -42.46 99.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.457 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.38 -29.54 63.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.587 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.11 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.742 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -62.87 -26.92 69.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.57 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.21 -9.01 43.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.975 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.856 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.35 -41.75 89.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.72 -40.79 95.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.1 0.476 . . . . 0.0 110.293 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.419 ' CA ' ' HE ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -60.93 -40.32 92.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.377 -179.562 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.48 -37.43 87.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.421 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.91 91.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.508 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.23 -41.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.122 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.23 92.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.83 -35.47 81.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.1 m -63.15 -22.78 67.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.678 -179.374 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.927 0.394 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.8 p -78.37 165.55 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.07 -39.29 91.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.96 -43.07 99.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.59 -43.09 97.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.471 . . . . 0.0 110.767 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.85 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.118 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.72 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.37 -39.69 93.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.298 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.39 89.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.099 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.32 -39.12 93.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -63.0 -40.55 98.11 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.505 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.3 mmm -64.7 -42.08 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.356 0.598 . . . . 0.0 110.229 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -66.62 -31.71 72.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.35 -43.83 96.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.17 -42.05 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -73.36 -32.09 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.652 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.61 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.586 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -62.16 -26.81 68.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.596 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -87.41 -12.95 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.614 179.725 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.4 -41.15 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.817 0.817 . . . . 0.0 110.324 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.25 -37.46 71.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -60.33 -42.42 95.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 18.8 ptpt -69.88 -33.23 71.96 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.785 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 112' ' ' LYS . . . -60.83 -41.74 96.37 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.561 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.3 mm -69.97 -40.87 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.359 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.06 96.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.544 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.81 -40.09 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.232 0.539 . . . . 0.0 110.361 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.444 -179.615 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.964 0.411 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.2 p -78.39 164.48 24.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.687 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -61.98 -34.98 77.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.07 -37.15 83.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -64.75 -40.46 95.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.598 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -63.01 -41.63 99.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 89' ' ' LEU . 84.1 t80 -61.88 -46.95 87.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.03 89.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.22 -41.87 97.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.38 96.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 110.473 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 85' ' ' PHE . 91.0 mt -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 110.398 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -63.33 -40.08 96.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.135 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.89 -41.0 99.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.5 m -63.1 -40.52 97.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.02 -39.93 95.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.478 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 95.5 mm-40 -63.26 -39.6 95.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.82 -39.94 90.87 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.263 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -63.23 -38.93 93.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.09 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.53 -18.86 39.99 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.478 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -88.71 10.34 21.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.108 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 96' ' ' ALA . 60.5 t . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.137 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.53 -40.06 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.142 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.0 -40.78 98.78 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.425 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -63.39 -41.29 98.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.52 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.77 92.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.614 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.72 -44.1 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.35 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.06 92.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.399 . . . . 0.0 110.537 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.73 -38.81 92.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.8 p -63.45 -38.28 90.52 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.609 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.061 0.457 . . . . 0.0 110.18 179.575 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.337 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -74.64 161.48 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.94 -43.83 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.62 -40.91 98.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.38 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.54 -42.8 99.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.504 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 89' ' ' LEU . 59.4 t80 -62.34 -44.82 95.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.47 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.82 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.04 -40.36 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.23 96.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 85' ' ' PHE . 87.8 mt -65.63 -37.39 86.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.856 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.76 -41.06 99.04 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.063 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.6 mtt -64.2 -41.36 97.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 0.0 110.309 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.495 ' CB ' HH12 ' A' ' 111' ' ' ARG . 74.8 m -65.72 -39.4 91.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.895 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.17 -41.61 99.26 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -62.97 -43.2 99.45 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.54 -37.25 74.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.836 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.66 -27.44 69.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.768 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -63.19 -26.11 68.65 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.81 -5.99 54.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.113 0.482 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 179.779 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.91 -42.87 97.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.495 HH12 ' CB ' ' A' ' 92' ' ' SER . 11.7 tpt180 -61.49 -40.36 94.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -61.91 -40.76 96.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.57 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.601 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.7 mm -65.92 -45.5 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.73 98.96 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.28 -40.63 94.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.3 p -64.2 -38.82 92.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.924 0.393 . . . . 0.0 110.709 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.695 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.0 mtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.674 0.273 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -74.23 159.57 32.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.33 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.7 -41.54 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -64.3 -42.36 96.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -63.5 -41.96 98.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CZ ' HD11 ' A' ' 89' ' ' LEU . 91.6 t80 -61.24 -47.04 87.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.86 90.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.374 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.88 -40.92 98.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -179.414 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.195 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.419 HD11 ' CZ ' ' A' ' 85' ' ' PHE . 8.7 mp -64.67 -40.12 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -63.0 -41.23 99.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.506 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.4 -41.1 85.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.68 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.6 m -64.22 -38.38 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.35 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.42 -42.85 99.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.411 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.99 -42.0 99.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.69 -35.95 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.297 0.57 . . . . 0.0 110.591 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.75 -37.0 80.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.86 -27.69 69.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.565 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.45 -14.99 34.14 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.113 0.483 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.315 -0.897 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.888 179.384 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.415 ' CG ' HH21 ' A' ' 111' ' ' ARG . 95.0 mt-10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.656 0.265 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.438 ' N ' HD22 ' A' ' 109' ' ' LEU . 4.1 mm? -68.16 -39.97 82.45 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.605 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.39 -44.18 95.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.415 HH21 ' CG ' ' A' ' 108' ' ' GLU . 90.0 mtm180 -66.13 -39.83 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -61.17 -43.82 98.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.05 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.7 mm -63.59 -45.58 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.23 97.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.38 -40.75 98.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.8 m -64.32 -39.67 94.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.906 -179.741 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 79' ' ' MET . 3.3 mpp? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.995 0.426 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -76.42 165.06 25.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -61.66 -42.63 99.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.15 -42.71 99.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.137 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.95 -40.42 96.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' HD11 ' A' ' 89' ' ' LEU . 78.0 t80 -61.31 -46.48 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.441 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.49 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.45 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.6 -42.2 98.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.135 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.1 89.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 85' ' ' PHE . 86.9 mt -63.29 -39.76 95.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -63.83 -38.82 92.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.133 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.2 mmm -61.94 -41.56 98.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.397 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.4 m -63.45 -40.16 96.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.35 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.95 -40.43 96.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -61.74 -39.18 90.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.162 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.28 -41.4 96.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.93 -38.01 79.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 110.54 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -68.64 -18.92 64.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.845 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -73.55 -13.68 61.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--N 1.317 -0.845 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.092 179.43 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.796 0.331 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.03 -41.24 82.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.44 -40.35 93.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.354 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.74 -40.86 96.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' A' ' 116' ' ' GLU . 26.5 ttpp -62.37 -42.47 99.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.72 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.54 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.27 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 110.135 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.02 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.592 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 112' ' ' LYS . 98.6 mt-10 -62.46 -38.37 89.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -62.6 -42.3 99.49 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.328 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.326 -0.444 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.537 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.865 0.364 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.1 p -77.81 162.92 26.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.47 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.86 -41.46 99.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.708 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.07 -40.69 96.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -62.95 -41.65 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.93 -47.27 85.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.77 82.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.403 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.45 -41.05 96.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.01 94.21 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.537 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 89' ' ' LEU . 4.2 mm? -65.75 -40.06 91.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.807 179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -63.51 -40.84 98.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.341 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.4 mtp -62.72 -40.56 97.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.7 p -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.087 0.47 . . . . 0.0 110.479 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.56 -39.45 93.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.21 -39.25 94.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.377 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.89 -42.79 98.69 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.352 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.33 -38.82 92.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.57 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -71.31 -19.64 62.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -79.22 2.98 19.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 96' ' ' ALA . 88.4 t . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.2 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 108' ' ' GLU . 1.2 mp0 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.97 -40.77 96.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.797 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.3 -42.98 99.11 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.402 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.31 -42.53 99.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.21 -39.82 89.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.698 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.43 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.9 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.286 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -40.12 95.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.7 p -63.91 -39.48 94.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.34 179.575 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.46 0.062 0 CA-C-O 120.834 0.349 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.1 p -78.07 162.9 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' GLU . 22.3 pt-20 -62.94 -40.8 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 81' ' ' GLU . 98.9 mt-10 -64.72 -40.86 96.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.542 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.63 -40.57 92.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.51 -40.76 95.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.419 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 89' ' ' LEU . 91.7 t80 -61.5 -46.88 88.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.54 93.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.7 -39.23 93.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.719 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.55 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 85' ' ' PHE . 86.7 mt -64.4 -38.88 92.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.081 0.467 . . . . 0.0 110.44 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -64.55 -39.07 93.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.0 p -63.2 -39.62 95.15 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.279 0.562 . . . . 0.0 110.417 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.83 -39.58 93.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.431 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.7 -39.38 93.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.88 -41.5 96.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.109 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.82 78.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.278 0.561 . . . . 0.0 110.712 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -71.93 -17.07 62.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -74.46 -4.48 36.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.495 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.97 0.414 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.33 -39.38 92.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.21 -43.69 98.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.4 -40.89 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -63.76 -43.06 97.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.535 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.13 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.579 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.11 -45.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.429 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.44 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.77 -38.61 91.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.4 m -62.3 -40.1 95.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.722 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.546 179.562 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.834 0.349 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -75.06 163.49 27.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.409 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.04 -38.45 88.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.774 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.79 -42.47 97.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.811 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.14 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.686 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -62.25 -40.47 96.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.454 ' CE2' HD11 ' A' ' 89' ' ' LEU . 80.8 t80 -61.16 -46.27 91.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.67 95.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.24 -37.3 86.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.223 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.08 95.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.282 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.454 HD11 ' CE2' ' A' ' 85' ' ' PHE . 92.9 mt -64.48 -39.15 93.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -63.69 -41.19 98.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.443 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.5 mmt -64.36 -40.12 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -41.33 98.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.47 -39.51 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.456 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.71 -42.36 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.614 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -71.41 -30.45 66.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.474 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.54 -20.34 65.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -63.36 -25.3 68.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.577 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.77 -13.33 60.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.613 -179.757 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.791 0.329 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.66 -41.1 98.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.576 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.9 -40.14 83.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -64.38 -39.02 93.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.561 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -62.5 -42.33 99.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.481 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.27 96.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.955 0.407 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.92 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.99 93.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.513 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.11 -40.1 96.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.72 -39.82 95.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.651 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.587 -179.727 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.53 142.96 98.55 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.737 2.291 . . . . 0.0 111.888 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 67.7 mt 56.17 16.45 2.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 71.32 22.45 78.56 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.0 m -67.68 143.9 55.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.59 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -73.46 139.26 45.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.68 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.32 151.67 43.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.477 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.49 126.2 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.412 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.53 159.85 31.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -61.09 144.62 53.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.167 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.407 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -85.96 143.69 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.629 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -78.08 167.2 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.47 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.43 -42.66 96.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.024 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.85 -38.7 92.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.977 0.418 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.05 -40.84 98.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.456 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -60.83 -42.57 98.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.429 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -64.06 -40.55 96.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.105 0.478 . . . . 0.0 109.825 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.3 91.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.978 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.07 -38.71 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.46 95.37 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.282 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.5 -38.72 81.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.315 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.68 -41.04 98.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.36 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.89 -40.84 98.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -61.82 -41.89 98.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.18 0.514 . . . . 0.0 110.381 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.12 -41.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.139 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.05 -39.53 95.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.53 -40.82 92.91 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.505 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.98 79.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.269 0.556 . . . . 0.0 110.75 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -73.57 -13.04 60.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -75.92 -3.07 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.12 128.88 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.202 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 100' ' ' ASN . 45.9 p-10 -82.76 127.08 33.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.762 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.7 m -67.24 -21.73 65.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.616 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -61.25 -28.75 69.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.226 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.22 -43.07 99.46 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.32 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.19 -41.12 77.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.019 0.438 . . . . 0.0 110.528 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.18 -40.02 90.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.422 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.08 -41.65 97.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.186 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.51 -43.11 99.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.89 -42.26 97.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.523 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.88 -38.35 90.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.61 -43.75 98.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -62.14 -41.68 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.963 0.411 . . . . 0.0 110.441 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -70.35 -35.76 73.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.621 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.25 79.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.504 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.32 -46.7 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.163 0.506 . . . . 0.0 110.422 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.5 -37.11 85.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.8 t -61.2 -40.42 93.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.214 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.98 -30.58 69.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.018 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -96.16 8.63 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.383 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.0 p -89.07 1.96 54.8 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.337 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 92.2 m -42.77 125.95 3.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.884 0.373 . . . . 0.0 110.372 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.531 ' C ' ' HE ' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -150.97 74.74 8.41 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 121.201 0.524 . . . . 0.0 110.087 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.473 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 39.8 Cg_exo -58.13 142.18 96.9 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 122.66 2.24 . . . . 0.0 111.967 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.9 t -67.54 144.34 55.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.366 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.92 135.81 56.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.51 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.66 81.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.629 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 82.0 p -74.78 -19.13 60.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.22 11.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.9 m -92.17 133.04 36.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.779 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -75.91 140.0 41.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.7 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.498 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.36 138.31 79.53 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.683 2.255 . . . . 0.0 111.853 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 46.6 mt -107.41 61.5 0.62 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.37 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.25 24.56 73.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 69.3 m -61.25 144.95 52.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.546 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -61.08 143.76 54.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.46 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -57.85 153.64 13.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.64 128.49 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.522 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.86 168.55 19.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.652 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -58.37 147.42 31.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.652 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -67.86 135.68 52.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.758 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.0 p -79.42 167.23 21.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.542 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.81 -40.08 91.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.543 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.96 -42.18 99.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.585 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -66.68 -39.83 88.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.18 -42.03 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.41 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.13 -47.83 84.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.96 93.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.632 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 87' ' ' LEU . 1.3 tt -62.64 -41.18 98.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.176 0.513 . . . . 0.0 110.502 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.94 95.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.12 -36.38 79.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.45 -42.08 99.21 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.194 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.07 -39.14 89.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.463 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.2 p -63.76 -38.64 91.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.23 -40.64 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.36 -42.62 98.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 99' ' ' VAL . 99.6 mt-10 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.395 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.41 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.5 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -72.88 -27.69 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -99.49 -20.25 16.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.334 0.588 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 95' ' ' GLU . 60.7 t -87.19 155.57 3.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.78 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.457 ' N ' HG12 ' A' ' 99' ' ' VAL . 98.9 m-20 -51.52 154.22 1.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.201 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.3 p -60.87 -21.79 63.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.327 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -61.01 -40.93 95.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.405 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.85 -39.38 90.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.675 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -62.43 -40.5 96.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.474 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -62.97 -41.36 99.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.072 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -63.08 -42.09 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.93 -41.13 97.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.191 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.89 -41.18 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.275 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.51 -39.0 92.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.28 -44.38 96.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -62.69 -40.91 98.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.28 -42.32 98.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.34 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.45 91.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.26 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.975 0.416 . . . . 0.0 110.523 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.65 -40.75 96.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.627 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.56 -39.19 92.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.3 m -62.59 -39.86 95.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.8 mp -81.51 -33.87 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.69 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 30.4 m120 -73.83 -10.55 59.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.341 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.1 m -76.26 -14.14 60.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.991 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 51.2 t -83.64 119.14 24.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.053 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 tpt85 -142.82 79.19 15.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.19 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.2 147.68 64.44 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 123.017 2.478 . . . . 0.0 112.264 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.4 m -63.63 145.0 56.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.77 154.06 42.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.6 -33.32 71.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.42 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.65 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 68.3 m -76.31 -7.73 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.634 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.78 9.01 1.54 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.398 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.8 m -94.96 123.24 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.376 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -95.37 139.59 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.453 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.556 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.526 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 30.9 Cg_exo -59.77 146.36 95.75 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.684 2.256 . . . . 0.0 111.826 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.621 HD12 ' N ' ' A' ' -2' ' ' LEU . 8.8 mp -61.32 -38.13 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.703 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 84.59 3.46 88.32 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 83.8 p -70.08 158.35 35.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -74.0 133.81 43.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.668 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -72.24 138.07 47.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.369 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.8 mm -66.04 126.47 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.337 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.88 150.95 34.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.561 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.424 ' CD ' ' N ' ' A' ' 78' ' ' GLN . 4.0 mp0 -75.82 143.94 41.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.526 ' C ' HE22 ' A' ' 84' ' ' GLN . 25.8 mmt -80.06 141.34 35.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.492 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.554 ' O ' ' NE2' ' A' ' 84' ' ' GLN . 59.9 p -77.37 166.14 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -60.94 -36.49 79.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.87 -40.61 95.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.67 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.668 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 80' ' ' THR . 1.1 mp0 -64.91 -41.82 95.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.723 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -61.49 -46.81 88.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.654 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.22 82.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.11 -42.48 98.61 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.833 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.73 97.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.429 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -68.83 -38.35 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.654 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.4 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.149 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.21 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.515 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 t -62.46 -41.92 99.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.053 0.454 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.59 -40.17 95.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -62.18 -40.45 96.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.35 -40.98 96.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.41 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.94 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -69.78 -24.32 63.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -74.23 -6.97 50.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.66 128.59 35.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.033 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -83.58 120.71 26.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.7 p -76.86 -25.35 53.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.57 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.43 -31.53 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.706 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.02 -40.91 99.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.147 0.499 . . . . 0.0 110.619 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.43 -39.39 62.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.43 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.66 -46.57 85.02 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.079 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 107' ' ' GLU . 3.1 pp20? -68.15 -34.1 75.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.514 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 53.0 tp10 -61.78 -43.21 99.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.169 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.27 -45.63 90.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.16 -36.99 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.57 -43.74 98.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -61.74 -39.75 92.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.47 -39.43 93.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.496 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.19 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.351 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.73 -40.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.796 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.18 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.243 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -39.25 84.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.787 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.19 -35.88 76.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -72.11 -25.72 61.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.661 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.3 t -105.09 7.73 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.629 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 122' ' ' ARG . 50.8 t -72.16 -108.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.701 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.665 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 16.7 ttm180 -67.99 -40.74 24.1 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.154 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 50.8 Cg_exo -56.65 140.46 90.36 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.705 2.27 . . . . 0.0 111.984 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.8 m -72.47 150.96 42.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.504 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.48 149.37 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -34.2 73.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.519 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.633 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 73.4 m -83.05 -10.73 58.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.632 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.35 -46.86 0.37 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.865 0.364 . . . . 0.0 110.593 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.7 t -93.91 150.77 20.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.372 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -79.67 137.22 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.516 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.734 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.18 -35.45 90.93 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.739 2.293 . . . . 0.0 111.909 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.65 131.94 44.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.314 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 75.68 10.99 84.79 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 84.9 p -67.83 158.5 32.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 110.448 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.83 136.89 45.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.651 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -67.42 151.18 47.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.646 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.685 HD12 ' N ' ' A' ' 76' ' ' ILE . 1.8 mp -79.81 127.74 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.266 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.65 171.44 9.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -58.82 144.21 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.255 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtm -68.34 136.32 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.489 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.1 p -78.25 166.82 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.698 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.42 -40.79 95.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.64 -39.93 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -63.26 -41.62 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.01 -42.54 98.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.42 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.91 -46.43 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.63 91.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.29 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 87' ' ' LEU . 1.1 tt -61.94 -40.06 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.198 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.27 90.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.205 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.73 -37.67 88.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.752 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.91 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.604 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.429 ' O ' ' OE2' ' A' ' 95' ' ' GLU . 75.1 mtm -64.46 -40.37 95.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.777 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -61.84 -38.16 87.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.343 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.67 -42.35 98.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -61.57 -41.64 97.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.221 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.37 84.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.142 0.496 . . . . 0.0 110.841 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -65.54 -23.66 66.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -72.44 -12.31 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.1 t -82.09 128.19 38.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.317 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -84.26 118.38 24.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.9 p -77.54 -31.57 53.37 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.39 0.614 . . . . 0.0 110.853 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -65.51 -29.59 70.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.647 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.36 -42.98 99.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.25 -39.67 82.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.461 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.88 -41.82 97.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.38 -40.01 95.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.568 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -61.86 -40.32 94.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -63.8 -41.91 97.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.1 -41.92 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -42.19 98.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.458 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.66 -40.91 98.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.49 -43.26 99.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.24 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.272 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.1 -45.37 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.24 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -63.36 -40.46 97.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.1 p -64.89 -39.44 93.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.56 -34.94 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -68.81 -28.7 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.669 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 96.7 p -98.63 -14.77 19.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.472 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 120' ' ' SER . 17.2 p 40.13 -165.09 0.0 OUTLIER 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -77.04 152.42 82.28 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.742 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.24 146.71 59.07 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.355 2.036 . . . . 0.0 111.813 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.0 p -67.82 159.09 31.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.46 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -77.84 124.89 28.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.486 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.84 -24.75 63.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.601 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 60.6 p -73.4 -20.64 60.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.21 33.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.231 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.6 t -76.39 138.56 40.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -90.29 137.71 32.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.385 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.557 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.36 -28.54 63.17 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.65 2.233 . . . . 0.0 112.018 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 78.7 mt -71.61 127.44 32.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.54 12.48 82.39 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.8 m -66.94 152.68 45.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -67.19 146.77 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.417 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -66.94 148.29 52.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.1 mt -89.23 132.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.636 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.3 161.65 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.52 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -57.11 127.07 30.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.575 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.531 ' SD ' ' NE2' ' A' ' 84' ' ' GLN . 21.5 ptp -84.5 148.25 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.734 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.1 p -76.39 165.65 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.41 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -61.8 -38.48 88.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.607 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.459 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -64.19 -38.89 92.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.531 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 26.3 mm-40 -60.74 -43.39 98.01 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.569 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -61.92 -47.81 83.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.471 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.94 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.427 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' O ' ' SD ' ' A' ' 91' ' ' MET . 60.5 tp -61.01 -42.21 98.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.511 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.16 89.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.23 -39.1 93.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.781 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.78 -39.17 93.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.419 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.57 ' SD ' ' N ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -62.57 -42.22 99.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.659 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.6 p -62.89 -39.85 95.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.298 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -66.78 -41.52 87.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.767 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 88.0 mt-30 -62.32 -40.93 97.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.3 -40.87 95.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.05 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 110.688 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -81.21 -20.97 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.5 OUTLIER -87.9 10.31 19.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 96' ' ' ALA . 76.5 t -61.47 134.21 26.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.77 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -55.04 131.2 44.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.117 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.9 p -67.32 -21.17 65.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.287 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.93 -30.27 70.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.478 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.08 -43.04 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.654 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.1 mp0 -71.2 -37.42 72.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.398 0.618 . . . . 0.0 110.579 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.44 -35.97 79.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.095 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -59.4 -40.01 85.23 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.145 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.14 -40.27 95.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.54 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 50.4 tp10 -62.22 -45.63 92.47 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.849 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.69 -39.01 93.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.429 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -63.41 -44.02 95.83 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.471 -179.09 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 89.9 mtm180 -64.41 -39.51 93.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -61.77 -42.05 98.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.0 97.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.51 -44.16 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.86 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.18 -38.54 91.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -62.88 -40.17 96.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 118' ' ' LEU . 4.4 mm? -78.48 -34.53 47.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -71.36 -24.28 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.537 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.0 m -79.83 -10.3 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.345 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 89.3 m 54.83 63.94 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 123' ' ' PRO . 11.9 mmm-85 -44.15 -60.47 2.77 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.672 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 122' ' ' ARG . 27.5 Cg_endo -61.38 145.59 98.07 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.489 2.126 . . . . 0.0 111.902 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.3 t -65.73 144.77 56.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -61.69 161.8 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.445 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.21 70.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.627 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 85.0 p -73.68 -11.45 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.841 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.14 -20.58 0.38 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 110.488 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.8 p -79.66 158.88 26.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.59 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -90.2 127.96 36.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.604 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.545 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.55 -29.71 85.91 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.765 2.31 . . . . 0.0 111.587 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.99 118.5 11.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.283 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.25 -16.42 58.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.7 m -73.79 146.55 44.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.67 0.271 . . . . 0.0 110.707 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -70.59 141.51 51.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.724 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -66.09 139.43 58.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.61 HD12 ' N ' ' A' ' 76' ' ' ILE . 4.4 mp -85.09 125.15 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.07 146.93 34.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -70.58 138.68 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.425 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 mtt -86.6 132.18 33.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.1 p -77.49 165.86 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.396 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.49 -43.58 98.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.701 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.94 -43.4 88.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.557 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -66.32 -39.37 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.758 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.07 -42.59 98.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.066 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.09 -49.2 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.779 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.51 97.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.36 -38.88 92.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.693 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.21 94.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.548 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -71.61 -42.7 67.36 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.101 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -66.88 -39.59 87.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.818 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.3 mmt -62.93 -41.55 99.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -62.5 -40.14 95.76 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.587 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.7 -42.67 70.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -62.65 -42.18 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.13 -39.06 91.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.44 90.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 8.2 mpt_? -72.77 -24.64 60.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -73.68 -10.6 59.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.189 0.518 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -82.8 157.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.699 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -48.85 160.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.988 0.423 . . . . 0.0 110.372 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.4 p -61.44 -23.89 66.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.674 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -62.11 -44.5 96.52 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.935 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.478 ' N ' ' OE1' ' A' ' 103' ' ' GLU . 49.2 mp0 -75.98 -31.52 59.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.108 0.48 . . . . 0.0 111.123 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.83 -36.02 78.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.424 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -62.11 -40.05 94.57 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.58 -41.77 99.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.888 0.375 . . . . 0.0 110.373 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HG3' ' NH1' ' A' ' 111' ' ' ARG . 50.5 tt0 -63.91 -40.79 97.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.295 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.14 -41.08 97.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.26 -36.48 82.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.54 -45.11 95.56 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.174 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 107' ' ' GLU . 11.9 mpt_? -62.74 -39.64 94.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.309 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.34 -40.32 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.445 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.42 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.9 mm -63.89 -44.95 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.53 ' O ' ' ND2' ' A' ' 119' ' ' ASN . . . -63.3 -40.51 97.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.69 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.7 -39.44 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.506 ' OG ' ' CZ ' ' A' ' 122' ' ' ARG . 46.6 t -63.17 -41.25 99.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.928 0.394 . . . . 0.0 110.72 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.75 -35.18 78.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 115' ' ' ALA . 70.4 m-80 -83.01 -25.39 32.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 121' ' ' CYS . 74.2 m -78.45 -19.37 53.29 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.622 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.494 ' O ' ' O ' ' A' ' 120' ' ' SER . 83.9 m 55.93 125.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.8 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.506 ' CZ ' ' OG ' ' A' ' 117' ' ' SER . 15.2 ptp180 -138.48 56.96 10.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.441 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 53.4 Cg_endo -68.65 153.59 73.09 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.927 2.418 . . . . 0.0 112.147 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.2 m -66.66 162.71 20.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.716 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.04 156.9 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.43 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.37 -25.68 64.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.465 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.645 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 33.1 t -73.23 -12.87 61.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.642 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 80.29 7.98 1.46 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.464 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.4 p -81.85 158.81 23.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.33 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -101.8 140.68 35.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.58 179.633 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.412 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 40.4 Cg_endo -67.57 150.35 79.93 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.5 2.133 . . . . 0.0 111.858 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 9.0 tp -73.66 51.04 0.35 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.418 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.0 -3.32 84.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 40.0 t -66.92 140.59 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.438 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -67.38 149.68 49.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.572 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -58.85 152.8 18.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.558 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.7 mt -88.17 131.29 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 149.31 38.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.655 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.32 145.79 50.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.5 mtt -80.74 140.05 35.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.581 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -78.06 165.19 24.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -62.25 -37.48 85.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.92 -41.76 98.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.81 -40.93 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.691 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.73 -41.65 98.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.58 -46.8 88.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.256 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -42.45 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.344 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.44 96.33 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.761 -0.375 . . . . 0.0 110.643 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.35 -36.84 82.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.252 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.49 -41.76 99.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.72 -40.83 97.72 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.767 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.6 p -64.58 -38.93 92.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.76 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.89 -39.97 94.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.03 -40.73 98.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.79 -40.95 97.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 0.0 110.534 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.99 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -80.9 -9.35 59.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.08 6.35 6.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.4 . . . . 0.0 110.256 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -74.91 128.85 37.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.019 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -82.54 127.63 33.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.462 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.5 p -66.78 -19.56 65.77 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.328 0.585 . . . . 0.0 110.666 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -60.09 -28.47 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.287 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 104' ' ' GLU . 19.7 pt-20 -61.45 -40.51 94.76 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.092 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 98.9 mt-10 -67.7 -40.23 84.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.635 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.28 -42.48 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.211 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.39 -38.31 89.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.89 -41.12 95.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.32 -43.16 99.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.604 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.88 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.94 -40.17 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.105 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -62.31 -41.42 98.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 0.0 109.685 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.94 -42.69 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.917 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.473 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.84 -43.38 98.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.316 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.07 93.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -39.58 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.91 -40.57 97.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.484 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.86 -35.18 78.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -70.41 -28.25 64.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 0.0 110.478 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.4 m -92.4 -8.05 45.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 36.7 t -62.22 105.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.994 0.426 . . . . 0.0 110.627 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.64 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 35.3 mtt180 -82.13 -37.9 0.84 Allowed Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.243 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 41.7 Cg_exo -58.1 153.08 47.73 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.721 2.281 . . . . 0.0 112.027 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -60.76 143.87 53.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.14 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.3 148.73 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.642 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.69 -22.36 66.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.378 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 86.5 p -73.43 -14.94 61.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.733 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.8 36.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.541 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.0 m -74.52 129.36 37.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -91.48 134.31 34.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.318 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.4 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.31 -23.86 58.54 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.591 2.194 . . . . 0.0 111.97 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 71.8 mt -82.55 159.19 22.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.419 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 92.05 5.01 66.36 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 79.2 p -70.58 159.55 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.4 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -66.43 141.44 57.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.405 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -75.23 147.78 40.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.76 HD12 ' N ' ' A' ' 76' ' ' ILE . 3.2 mp -84.93 125.31 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.568 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.89 159.57 34.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.408 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -63.5 147.73 50.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.238 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.541 ' SD ' ' N ' ' A' ' 79' ' ' MET . 1.0 OUTLIER -86.67 142.99 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.679 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.7 p -77.92 165.81 23.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.515 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 12.8 pm0 -59.81 -34.33 72.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.22 -40.6 94.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' O ' HD13 ' A' ' 87' ' ' LEU . 98.6 mt-10 -65.88 -39.05 90.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.313 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.77 -44.54 93.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.08 93.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 83' ' ' GLU . 6.0 mp -61.94 -40.24 94.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.496 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.95 96.38 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.257 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.98 -38.09 87.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.451 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.71 -40.6 97.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.627 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.11 -40.4 97.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -62.85 -40.71 98.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.435 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 24.0 mm100 -62.26 -40.93 97.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.5 -41.77 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.304 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.76 87.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.145 0.497 . . . . 0.0 110.722 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -67.73 -25.18 65.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -75.44 1.74 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.478 -179.747 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.85 128.11 38.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.354 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.72 120.4 26.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.631 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.7 m -77.17 -21.36 54.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.697 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -61.15 -35.23 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.532 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.03 -43.17 99.28 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.518 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.67 -40.15 88.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 110.383 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.09 -38.91 92.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.629 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.07 -43.08 95.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.068 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.44 -41.4 98.7 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.61 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.82 -43.21 96.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.26 -39.09 93.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.357 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.21 -43.66 98.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.997 0.427 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -64.5 -41.77 96.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.67 91.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.497 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.95 -45.24 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.424 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.57 -41.11 96.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.37 -38.74 92.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.535 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 74.6 m -62.97 -40.04 96.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.61 -33.83 62.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.421 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 27.5 m120 -69.98 -26.76 64.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.697 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.1 m -83.96 -12.18 55.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.644 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 117' ' ' SER . 82.8 m -92.77 -152.33 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.574 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.24 148.08 89.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -67.77 146.59 73.09 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.633 2.222 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 72.4 m -77.69 146.04 36.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.487 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.05 134.49 49.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.55 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.69 -35.48 81.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.646 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.636 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 84.6 p -74.92 -17.01 60.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.74 21.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.1 m -78.6 130.48 35.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.638 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -77.57 130.61 37.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 p . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.505 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.62 152.48 64.87 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.718 2.278 . . . . 0.0 111.907 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 33.4 tp -155.53 -66.36 0.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 72.0 32.1 63.71 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.569 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 93.5 p -66.65 156.2 35.84 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.592 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -75.76 147.42 39.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -77.84 153.38 32.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.0 mm -76.01 125.19 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 0.0 110.185 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.41 160.54 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.644 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.74 145.61 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.2 mmm -83.09 142.01 31.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.403 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.9 p -75.49 165.74 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.557 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.07 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.8 mp0 -62.86 -40.35 97.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.414 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -63.9 -39.76 94.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.697 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.88 -41.95 98.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.461 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.98 -46.29 89.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.667 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.9 87.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.2 -38.4 88.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.82 97.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.45 -37.22 80.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.436 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 62.0 mtt -63.74 -40.02 95.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.522 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -61.73 -40.87 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.013 0.435 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.02 -40.12 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.982 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.99 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.42 -43.08 99.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.498 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.21 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.136 0.494 . . . . 0.0 110.774 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -68.48 -22.55 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.34 -4.28 38.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.106 0.479 . . . . 0.0 111.105 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.66 131.09 35.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.048 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 103' ' ' GLU . 28.2 t-20 -79.59 116.62 19.9 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.684 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.3 p -77.44 -24.1 50.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.729 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.28 -38.15 90.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.534 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 53.1 tp10 -61.57 -42.52 98.96 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.81 -42.42 95.01 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.231 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.05 -41.06 97.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.33 -39.73 94.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.661 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.13 -42.01 98.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.236 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.93 -41.65 91.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.93 0.395 . . . . 0.0 110.049 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.49 -42.97 99.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -62.33 -41.84 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.208 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.86 -39.13 93.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.44 91.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.632 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -68.73 -42.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.859 0.362 . . . . 0.0 110.389 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.72 -40.04 95.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.1 m -63.44 -40.86 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.459 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.36 -35.63 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.725 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -68.85 -27.83 66.17 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -88.89 -5.38 58.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.44 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.7 m 56.2 48.92 16.39 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.495 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 48.11 78.45 0.4 Allowed Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.89 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.18 151.25 72.37 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 121.972 1.781 . . . . 0.0 112.055 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.1 p -70.4 161.76 29.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.458 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.74 162.6 13.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.496 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.47 -13.57 9.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.405 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 74.7 m -72.7 -21.22 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.672 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.76 28.18 0.43 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.735 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.6 p -91.7 150.36 21.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.377 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -98.52 126.18 43.99 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.371 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.472 -179.694 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -53.48 -38.49 83.28 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.811 2.341 . . . . 0.0 112.063 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -106.25 138.87 41.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 69.86 32.75 70.2 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 45.3 t -60.68 141.46 56.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.086 0.47 . . . . 0.0 110.58 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.39 155.37 40.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.583 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.05 150.48 33.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.025 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mm -74.16 126.01 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.376 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.05 169.76 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -65.78 140.59 58.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.441 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.403 ' HG3' HE21 ' A' ' 84' ' ' GLN . 0.0 OUTLIER -79.06 132.45 36.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.473 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -78.08 164.84 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.396 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.42 -41.39 98.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -65.51 -40.26 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.17 -42.41 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.521 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.403 HE21 ' HG3' ' A' ' 79' ' ' MET . 96.3 mt-30 -62.88 -41.16 99.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.98 0.419 . . . . 0.0 110.048 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -63.64 -42.29 98.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.87 87.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.388 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.47 -39.91 94.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.482 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.96 -34.03 72.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.224 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -63.11 -41.96 99.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.417 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.15 -41.94 89.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.964 0.411 . . . . 0.0 110.411 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.9 m -66.61 -38.27 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.667 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.539 ' OE2' ' NE ' ' A' ' 97' ' ' ARG . 16.2 tm-20 -62.78 -41.77 99.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.02 -43.18 99.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.552 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 99' ' ' VAL . 78.9 mm-40 -66.58 -25.45 66.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.167 0.508 . . . . 0.0 110.724 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.16 72.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.375 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.539 ' NE ' ' OE2' ' A' ' 93' ' ' GLU . 2.2 mpt_? -66.16 -26.12 67.27 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.466 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.44 -15.71 30.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.309 0.576 . . . . 0.0 110.667 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 95' ' ' GLU . 79.0 t -83.19 140.1 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.692 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -54.74 152.57 6.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.25 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -59.94 -42.99 95.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.734 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.4 -42.13 92.92 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.631 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.2 -38.78 78.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.677 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.74 -42.12 99.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.419 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.42 -43.75 98.08 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.081 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.78 -44.54 95.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.542 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.16 -37.89 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.642 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.94 -41.82 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.385 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.94 -40.91 99.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.58 -41.04 80.22 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.568 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -61.47 -41.41 97.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.19 -39.07 93.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.07 -45.03 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.714 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -64.48 -40.52 95.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.4 p -64.4 -39.15 93.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.966 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.8 -35.86 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -80.15 -26.79 39.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.4 m -101.47 7.07 42.63 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.208 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.2 p -48.52 162.53 0.09 Allowed 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -138.33 129.52 15.6 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.446 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.94 148.03 75.48 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.993 1.796 . . . . 0.0 112.375 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.6 t -64.38 144.12 57.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.446 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.09 145.48 48.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.15 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.632 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 69.2 m -79.75 -17.15 54.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.04 22.93 0.58 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.7 m -76.89 132.25 39.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.725 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -76.96 139.46 40.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.48 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.505 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.21 149.79 58.31 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.645 2.23 . . . . 0.0 112.043 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 48.4 mt 50.57 -153.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.546 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.16 2.78 90.66 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 72.7 m -64.02 144.16 57.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -72.08 152.8 42.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.735 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -67.1 149.51 50.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.363 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.807 HD12 ' N ' ' A' ' 76' ' ' ILE . 2.3 mp -90.63 125.69 43.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.26 141.39 41.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.653 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -83.39 138.27 33.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.447 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.3 mtt -74.29 147.52 42.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.2 p -69.97 159.5 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.8 -41.99 98.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.522 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -64.19 -43.27 95.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -62.83 -43.76 97.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.335 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.16 -45.64 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.85 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' A' ' 91' ' ' MET . 61.3 tp -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.545 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.64 89.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.283 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.18 -36.88 85.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.658 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 94' ' ' GLN . 68.3 mttm -63.01 -41.72 99.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.609 ' SD ' ' N ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -65.61 -40.74 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.625 178.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -65.29 -37.84 88.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.489 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 97' ' ' ARG . 54.0 tp10 -61.82 -44.41 96.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 2.5 mp0 -64.02 -44.06 93.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.416 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.18 -36.05 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.357 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.46 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 93' ' ' GLU . 75.7 mmt-85 -62.9 -26.24 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.9 -13.54 57.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.126 0.489 . . . . 0.0 110.906 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t -82.74 144.45 10.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 101' ' ' SER . 52.9 t-20 -54.01 152.75 5.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.377 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.505 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 47.4 t -60.64 -45.56 93.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.731 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.71 -42.39 86.47 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.969 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -70.19 -39.86 74.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.468 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.85 -41.24 99.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.213 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -61.78 -45.31 94.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.235 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.21 -40.32 95.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.987 0.422 . . . . 0.0 110.408 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.29 -41.33 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.573 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 66.1 mm-40 -61.96 -40.8 96.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.29 -39.67 95.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.85 -37.27 62.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.734 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 60.1 ttp180 -62.81 -44.84 95.1 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -72.49 -34.66 67.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.61 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.92 -43.26 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.449 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.67 -38.89 92.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.486 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -62.78 -40.27 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.111 0.481 . . . . 0.0 110.525 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.93 -34.71 77.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.785 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -71.53 -27.32 63.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.3 m -91.61 -11.85 35.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 65.3 m -89.62 -177.13 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.467 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 24.9 mmt85 53.73 53.91 11.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.639 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 42.5 Cg_endo -67.41 144.43 67.5 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.659 2.239 . . . . 0.0 112.086 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.1 m -70.64 144.74 51.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.539 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -73.11 154.6 40.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.713 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.09 -24.67 66.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.639 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 69.5 m -78.77 -7.96 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.19 2.41 2.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 71.5 p -89.54 158.94 17.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -89.28 124.57 34.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.522 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.549 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 31.2 Cg_exo -59.57 146.02 96.39 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.926 2.417 . . . . 0.0 111.863 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' -2' ' ' LEU . 0.1 OUTLIER -78.34 19.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.14 179.715 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' -3' ' ' PRO . . . 96.27 -22.72 38.33 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.6 m -74.69 145.55 43.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -69.94 151.6 45.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.289 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.516 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -58.81 149.86 25.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.562 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 30.4 mm -79.03 135.42 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.305 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.67 145.23 45.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.86 133.39 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.43 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.6 mtp -82.06 140.69 33.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.8 p -76.59 160.54 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.52 -42.49 98.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.69 -42.92 97.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.467 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.27 -40.28 93.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' A' ' 89' ' ' LEU . 58.8 t80 -61.64 -44.33 97.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.386 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.33 97.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.726 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.08 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.385 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.27 97.81 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.3 mt -66.63 -38.84 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -63.63 -41.53 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.504 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.3 mtt -63.63 -40.78 97.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.71 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.9 p -64.56 -38.59 91.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.649 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.46 -40.46 95.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -63.1 -42.46 99.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.457 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.38 -29.54 63.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.587 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' O ' ' OE1' ' A' ' 103' ' ' GLU . . . -63.62 -20.11 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.742 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -62.87 -26.92 69.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.57 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.21 -9.01 43.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.975 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.466 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 60.1 t -82.76 151.72 4.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.78 164.29 2.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.517 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -53.37 -18.7 2.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.621 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -56.84 -23.83 46.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.162 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' A' ' 99' ' ' VAL . 10.8 pt-20 -59.66 -29.5 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.185 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -62.86 -41.9 99.55 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.321 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -65.23 -40.08 93.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.131 0.491 . . . . 0.0 110.24 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.37 -40.64 97.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.492 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.33 -39.44 90.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.142 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.15 -41.47 98.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.315 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.35 -41.75 89.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.72 -40.79 95.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.1 0.476 . . . . 0.0 110.293 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.419 ' CA ' ' HE ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -60.93 -40.32 92.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.377 -179.562 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.48 -37.43 87.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.421 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.91 91.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.508 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.23 -41.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.122 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.23 92.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.83 -35.47 81.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.1 m -63.15 -22.78 67.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.84 -35.51 78.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.678 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -90.65 -24.77 20.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.71 0.291 . . . . 0.0 110.573 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.3 m -95.1 -2.07 50.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.505 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 37.0 m 57.17 -162.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -132.69 76.13 71.86 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.451 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.09 141.13 80.31 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.636 2.224 . . . . 0.0 111.863 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.4 t -63.49 145.55 55.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.507 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -55.81 143.38 31.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.552 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.8 -20.75 62.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.555 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.638 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 73.3 m -72.77 -19.5 61.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.515 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.43 -18.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.2 p -80.77 158.65 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.691 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -78.51 139.65 38.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.582 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' A' ' 131' ' ' SER . 53.1 p . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.62 -16.51 55.6 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.965 2.443 . . . . 0.0 111.919 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 99.2 mt -60.46 -31.16 70.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.401 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 75.8 24.64 69.16 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.0 t -60.88 140.72 57.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.587 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -64.8 142.54 58.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.681 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -58.23 148.48 27.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.64 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 92.7 mt -88.52 127.18 41.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.399 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.62 168.42 19.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.34 145.97 36.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.425 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtm -68.84 135.0 50.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.429 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.8 p -78.37 165.55 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.07 -39.29 91.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.96 -43.07 99.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.59 -43.09 97.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.471 . . . . 0.0 110.767 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.85 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.118 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.72 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.37 -39.69 93.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.298 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.39 89.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.099 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.32 -39.12 93.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -63.0 -40.55 98.11 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.505 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.3 mmm -64.7 -42.08 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.356 0.598 . . . . 0.0 110.229 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -66.62 -31.71 72.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.35 -43.83 96.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.17 -42.05 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -73.36 -32.09 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.652 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.61 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.586 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -62.16 -26.81 68.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.596 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -87.41 -12.95 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 100' ' ' ASN . 26.1 t -82.91 155.79 3.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.614 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 101' ' ' SER . 39.3 t-20 -50.58 153.44 1.63 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.206 0.527 . . . . 0.0 110.135 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.536 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 74.0 m -57.23 -23.11 45.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.627 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.26 -41.52 97.07 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.341 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -69.74 -39.45 76.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -62.18 -42.41 99.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.509 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.73 -42.29 99.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.856 0.36 . . . . 0.0 110.564 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.41 -41.07 96.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.345 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.6 -40.18 96.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.571 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.75 -41.05 97.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.4 -41.15 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.817 0.817 . . . . 0.0 110.324 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.25 -37.46 71.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -60.33 -42.42 95.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 18.8 ptpt -69.88 -33.23 71.96 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.785 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 112' ' ' LYS . . . -60.83 -41.74 96.37 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.561 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.3 mm -69.97 -40.87 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.359 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.06 96.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.544 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.81 -40.09 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.232 0.539 . . . . 0.0 110.361 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.15 -35.42 79.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.444 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -70.87 -28.03 64.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.573 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.6 m -86.77 -14.92 40.9 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.564 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 45.8 t -60.57 -39.51 88.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.25 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -57.14 148.36 51.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.864 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.79 150.57 78.94 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.593 2.195 . . . . 0.0 112.159 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.1 p -74.15 164.38 26.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.476 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 44.9 p-10 -58.49 127.56 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.69 78.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.735 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.623 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 74.1 m -73.81 -21.26 60.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.632 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.85 -10.69 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.383 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.43 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 63.7 p -80.77 158.58 25.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -76.52 139.33 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.507 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.518 179.915 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.13 149.87 65.15 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.641 2.227 . . . . 0.0 111.77 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.1 tp -134.18 129.16 35.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.223 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 119.81 86.84 1.01 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 35.7 t -68.79 140.28 55.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.88 0.371 . . . . 0.0 110.613 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -66.77 153.16 44.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.563 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.16 152.49 45.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.319 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.03 130.42 34.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.541 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.57 171.18 11.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.728 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -56.95 143.01 39.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.308 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.6 OUTLIER -69.65 131.62 44.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.2 p -78.39 164.48 24.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.687 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -61.98 -34.98 77.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.07 -37.15 83.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -64.75 -40.46 95.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.598 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -63.01 -41.63 99.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 89' ' ' LEU . 84.1 t80 -61.88 -46.95 87.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.03 89.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.22 -41.87 97.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.38 96.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 110.473 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 85' ' ' PHE . 91.0 mt -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 110.398 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -63.33 -40.08 96.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.135 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.89 -41.0 99.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.5 m -63.1 -40.52 97.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.02 -39.93 95.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.478 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 95.5 mm-40 -63.26 -39.6 95.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.82 -39.94 90.87 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.263 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -63.23 -38.93 93.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.09 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.53 -18.86 39.99 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.478 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -88.71 10.34 21.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.108 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 96' ' ' ALA . 60.5 t -61.53 136.84 24.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.137 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -55.01 123.91 15.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.509 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.2 m -67.78 -21.51 65.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.399 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -61.03 -29.81 69.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.335 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.71 -42.86 98.06 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -66.43 -40.84 89.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.988 0.423 . . . . 0.0 110.294 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' O ' HD13 ' A' ' 109' ' ' LEU . 98.6 mt-10 -63.5 -39.57 94.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.52 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -61.17 -40.6 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.444 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.56 -42.26 98.57 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.021 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.17 -41.84 99.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 105' ' ' GLU . 7.6 mp -62.53 -40.06 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.142 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.0 -40.78 98.78 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.425 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -63.39 -41.29 98.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.52 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.77 92.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.614 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.72 -44.1 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.35 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.06 92.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.399 . . . . 0.0 110.537 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.73 -38.81 92.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.8 p -63.45 -38.28 90.52 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.609 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.2 mp -71.3 -34.29 70.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.061 0.457 . . . . 0.0 110.18 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 119' ' ' ASN . 60.7 t-20 -67.84 -26.11 65.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 t -75.7 -9.63 58.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.689 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 m 66.52 85.06 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 tpt85 -129.61 81.5 69.5 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.003 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.23 142.69 87.04 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.721 2.281 . . . . 0.0 111.922 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.3 t -63.48 148.73 47.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.397 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -57.73 144.83 36.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.36 -32.82 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.619 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 95.7 p -72.57 -18.24 61.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.787 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.85 12.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 110.409 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.419 HG23 ' OG ' ' A' ' 127' ' ' SER . 80.8 p -76.81 158.78 30.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -76.07 139.56 41.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.509 -179.791 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.401 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 59.0 Cg_endo -70.07 147.78 61.64 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.674 2.25 . . . . 0.0 111.804 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 63.0 mt -110.05 119.17 38.45 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.171 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.07 99.5 0.09 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.4 m -71.59 140.97 50.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 110.41 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -79.41 149.24 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -67.32 145.05 55.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.57 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 92.2 mt -76.68 130.6 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.492 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 146.1 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.91 140.16 58.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.7 mtt -71.1 145.06 50.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -74.64 161.48 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.94 -43.83 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.62 -40.91 98.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.38 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.54 -42.8 99.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.504 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 89' ' ' LEU . 59.4 t80 -62.34 -44.82 95.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.47 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.82 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.04 -40.36 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.23 96.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 85' ' ' PHE . 87.8 mt -65.63 -37.39 86.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.856 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.76 -41.06 99.04 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.063 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.6 mtt -64.2 -41.36 97.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 0.0 110.309 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.495 ' CB ' HH12 ' A' ' 111' ' ' ARG . 74.8 m -65.72 -39.4 91.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.895 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.17 -41.61 99.26 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -62.97 -43.2 99.45 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.54 -37.25 74.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.836 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.66 -27.44 69.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.768 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -63.19 -26.11 68.65 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.81 -5.99 54.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.113 0.482 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.61 139.51 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -55.57 154.58 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.305 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.3 t -59.91 -44.26 94.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.138 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -68.33 -42.01 79.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.904 0.383 . . . . 0.0 110.765 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -68.24 -39.18 82.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.084 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -61.81 -41.33 97.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.322 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.79 -46.37 89.85 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.405 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -68.77 -42.09 77.91 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.586 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -64.23 -40.66 96.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.588 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.96 -45.0 95.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.598 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.91 -42.87 97.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.495 HH12 ' CB ' ' A' ' 92' ' ' SER . 11.7 tpt180 -61.49 -40.36 94.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -61.91 -40.76 96.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.57 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.601 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.7 mm -65.92 -45.5 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.73 98.96 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.28 -40.63 94.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.3 p -64.2 -38.82 92.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.924 0.393 . . . . 0.0 110.709 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.454 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 85.0 mt -68.31 -35.3 77.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -73.71 -27.64 61.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.431 . . . . 0.0 110.483 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.1 p -93.35 -5.34 49.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 118' ' ' LEU . 8.5 p -70.01 3.74 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.383 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 60.52 61.05 3.54 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.03 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.26 149.33 81.33 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.385 2.057 . . . . 0.0 112.144 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 t -63.77 145.34 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.486 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -61.2 149.21 38.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.597 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.92 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.508 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.619 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 21.7 t -73.72 -12.06 60.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.597 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.86 -4.06 1.97 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.444 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 58.7 p -80.6 158.5 25.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -78.87 138.04 37.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.439 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.24 -23.72 44.82 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.769 2.313 . . . . 0.0 111.95 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 67.9 mt 45.59 -157.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.18 1.66 90.11 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 80.4 p -70.67 158.9 35.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 0.0 110.587 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 74' ' ' ARG . 9.1 ptm85 -69.93 152.01 44.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.45 153.29 41.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.621 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.48 132.89 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.35 53.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.516 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -70.73 136.82 49.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.447 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.0 mtm -85.52 149.31 25.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -74.23 159.57 32.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.33 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.7 -41.54 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -64.3 -42.36 96.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -63.5 -41.96 98.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CZ ' HD11 ' A' ' 89' ' ' LEU . 91.6 t80 -61.24 -47.04 87.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.86 90.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.374 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.88 -40.92 98.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -179.414 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.195 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.419 HD11 ' CZ ' ' A' ' 85' ' ' PHE . 8.7 mp -64.67 -40.12 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -63.0 -41.23 99.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.506 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.4 -41.1 85.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.68 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.6 m -64.22 -38.38 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.35 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.42 -42.85 99.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.411 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.99 -42.0 99.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.69 -35.95 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.297 0.57 . . . . 0.0 110.591 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.505 ' HB1' ' HG2' ' A' ' 104' ' ' GLU . . . -60.75 -37.0 80.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.86 -27.69 69.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.565 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.45 -14.99 34.14 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.113 0.483 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.5 t -82.33 152.19 4.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.888 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -53.89 151.37 6.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.201 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.8 m -60.55 -43.85 96.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.849 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -65.65 -42.2 91.69 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.268 0.556 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -70.7 -37.5 73.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.505 ' HG2' ' HB1' ' A' ' 96' ' ' ALA . 16.5 tm-20 -62.59 -41.52 99.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.443 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.67 -41.66 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.272 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.27 -38.83 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.477 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.62 -37.55 87.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.292 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.425 ' OE2' ' OE2' ' A' ' 104' ' ' GLU . 95.0 mt-10 -61.01 -45.09 96.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.438 ' N ' HD22 ' A' ' 109' ' ' LEU . 4.1 mm? -68.16 -39.97 82.45 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.605 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.39 -44.18 95.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.415 HH21 ' CG ' ' A' ' 108' ' ' GLU . 90.0 mtm180 -66.13 -39.83 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -61.17 -43.82 98.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.05 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.7 mm -63.59 -45.58 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.23 97.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.38 -40.75 98.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.8 m -64.32 -39.67 94.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.25 -35.88 78.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.906 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -78.34 -19.29 53.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.0 p -90.38 1.39 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.64 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.98 -117.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.638 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 28.2 ttm-85 -69.51 -40.16 13.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.567 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 49.9 Cg_exo -57.33 140.15 92.17 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.59 2.193 . . . . 0.0 112.119 -179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 87.4 p -72.37 160.57 32.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.622 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 126' ' ' ALA . 66.9 t0 -67.36 135.61 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.753 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.462 ' N ' ' OD1' ' A' ' 125' ' ' ASP . . . -60.53 -34.34 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.463 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 96.3 p -73.67 -19.17 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.347 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.76 -47.51 0.42 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.4 p -86.5 158.51 19.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -90.06 135.24 33.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.415 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.516 -179.896 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.67 142.28 95.76 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.929 2.42 . . . . 0.0 111.938 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 64.6 mt 54.3 -130.89 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.96 1.39 90.64 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 30.2 t -63.87 143.69 57.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 110.393 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -60.77 133.2 55.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.619 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -60.59 147.56 41.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.534 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.3 mm -92.55 130.52 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.375 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.06 166.7 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.429 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -56.53 127.39 31.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.307 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 79' ' ' MET . 3.3 mpp? -83.11 140.16 32.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.601 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -76.42 165.06 25.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -61.66 -42.63 99.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.15 -42.71 99.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.137 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.95 -40.42 96.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' HD11 ' A' ' 89' ' ' LEU . 78.0 t80 -61.31 -46.48 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.441 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.49 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.45 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.6 -42.2 98.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.135 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.1 89.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 85' ' ' PHE . 86.9 mt -63.29 -39.76 95.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -63.83 -38.82 92.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.133 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.2 mmm -61.94 -41.56 98.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.397 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.4 m -63.45 -40.16 96.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.35 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.95 -40.43 96.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -61.74 -39.18 90.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.162 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.28 -41.4 96.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.93 -38.01 79.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 110.54 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -68.64 -18.92 64.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.845 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -73.55 -13.68 61.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.6 t -81.58 128.24 38.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.092 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -84.5 120.88 26.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.947 0.403 . . . . 0.0 110.667 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.5 m -75.11 -27.66 59.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.336 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -68.87 -36.32 77.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.1 -44.08 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.689 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.11 -36.57 66.77 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.573 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.64 -43.1 94.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.368 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.7 -40.24 96.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.341 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.69 -40.4 94.86 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.667 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.11 -41.98 99.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.976 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.03 -41.24 82.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.44 -40.35 93.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.354 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.74 -40.86 96.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' A' ' 116' ' ' GLU . 26.5 ttpp -62.37 -42.47 99.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.72 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.54 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.27 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 110.135 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.02 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.592 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 112' ' ' LYS . 98.6 mt-10 -62.46 -38.37 89.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -62.6 -42.3 99.49 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.328 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.2 mm? -70.61 -34.11 71.78 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.537 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 119' ' ' ASN . 45.4 t-20 -67.99 -28.75 67.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.568 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.8 p -88.95 -16.19 32.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.399 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.2 t 42.38 68.27 0.5 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.7 mtm105 -68.1 148.44 98.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.81 145.52 69.11 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.53 2.154 . . . . 0.0 112.163 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.7 t -72.69 145.27 47.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.478 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -77.58 121.53 24.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.712 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.86 79.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 36.3 t -74.06 -23.46 59.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.714 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.21 0.57 2.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.235 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.6 p -82.75 159.01 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -87.45 125.36 34.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.134 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.502 179.924 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.77 145.22 62.19 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.868 2.379 . . . . 0.0 111.925 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' -2' ' ' LEU . 9.8 mp -63.82 -41.72 97.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 68.42 30.38 73.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.8 p -67.2 157.73 33.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.525 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -72.13 150.31 43.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -60.28 146.51 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.2 mt -78.81 128.96 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.46 162.06 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.593 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -73.84 132.72 42.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 141.71 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.1 p -77.81 162.92 26.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.47 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.86 -41.46 99.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.708 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.07 -40.69 96.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -62.95 -41.65 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.93 -47.27 85.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.77 82.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.403 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.45 -41.05 96.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.01 94.21 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.537 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 89' ' ' LEU . 4.2 mm? -65.75 -40.06 91.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.807 179.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -63.51 -40.84 98.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.341 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.4 mtp -62.72 -40.56 97.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.7 p -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.087 0.47 . . . . 0.0 110.479 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.56 -39.45 93.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.21 -39.25 94.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.377 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.89 -42.79 98.69 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.352 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.33 -38.82 92.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.57 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -71.31 -19.64 62.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -79.22 2.98 19.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 96' ' ' ALA . 88.4 t -71.08 129.1 34.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.2 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -84.78 120.79 26.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.134 0.492 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.0 t -65.33 -24.24 67.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.451 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -60.6 -34.42 74.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.51 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.37 -42.43 98.69 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.994 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.78 -42.19 82.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.142 0.496 . . . . 0.0 110.567 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -62.7 -32.11 73.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.334 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.9 -35.14 70.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.245 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.12 -40.66 94.6 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 108' ' ' GLU . 1.2 mp0 -64.65 -39.39 93.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.97 -40.77 96.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.797 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.3 -42.98 99.11 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.402 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.31 -42.53 99.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.21 -39.82 89.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.698 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.43 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.9 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.286 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -40.12 95.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.7 p -63.91 -39.48 94.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.35 -35.92 78.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.34 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -79.29 -24.49 42.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.53 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.2 t -78.42 -18.92 54.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 43.8 m 51.65 -145.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.441 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.45 ' CB ' ' CD ' ' A' ' 123' ' ' PRO . 11.5 mtm105 -160.06 -62.7 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.133 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 122' ' ' ARG . 36.9 Cg_endo -61.8 142.68 94.49 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.24 1.96 . . . . 0.0 112.344 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -71.96 147.23 47.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.41 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.04 134.93 57.43 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.418 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.07 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.783 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.637 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 82.5 p -74.62 -21.34 59.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.37 -25.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 127' ' ' SER . 96.4 m -74.91 130.09 38.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -87.89 126.96 35.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.336 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.451 179.62 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' -2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.39 19.39 0.38 Allowed 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.71 2.273 . . . . 0.0 112.028 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' -4' ' ' GLY . 94.4 mt -60.96 -39.29 89.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.464 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 70.77 29.81 69.01 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.0 m -60.72 142.48 55.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -74.32 137.42 42.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.702 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -67.45 148.56 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.458 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.0 mt -79.48 125.84 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.02 152.57 29.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -68.59 131.2 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.2 mmt -88.11 140.18 29.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.1 p -78.07 162.9 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' GLU . 22.3 pt-20 -62.94 -40.8 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 81' ' ' GLU . 98.9 mt-10 -64.72 -40.86 96.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.542 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.63 -40.57 92.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.51 -40.76 95.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.419 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 89' ' ' LEU . 91.7 t80 -61.5 -46.88 88.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.54 93.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.7 -39.23 93.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.719 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.55 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 85' ' ' PHE . 86.7 mt -64.4 -38.88 92.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.081 0.467 . . . . 0.0 110.44 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -64.55 -39.07 93.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.0 p -63.2 -39.62 95.15 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.279 0.562 . . . . 0.0 110.417 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.83 -39.58 93.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.431 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.7 -39.38 93.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.88 -41.5 96.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.109 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.82 78.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.278 0.561 . . . . 0.0 110.712 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -71.93 -17.07 62.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -74.46 -4.48 36.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.5 t -72.07 129.0 35.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -84.45 120.39 26.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.184 0.516 . . . . 0.0 110.708 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.9 t -74.9 -26.2 59.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.545 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.54 -36.97 82.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.655 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.2 -42.31 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.184 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.75 -40.3 88.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.057 0.456 . . . . 0.0 110.485 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.55 -39.44 91.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.06 -42.4 98.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.399 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.26 -41.6 98.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.481 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.9 -42.22 97.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.515 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.33 -39.38 92.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.21 -43.69 98.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.4 -40.89 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -63.76 -43.06 97.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.535 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.13 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.579 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.11 -45.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.429 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.44 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' SER . 97.9 mt-10 -63.77 -38.61 91.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.4 m -62.3 -40.1 95.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.722 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.31 -33.46 55.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.546 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -83.13 -20.28 35.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.765 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 116' ' ' GLU . 80.1 p -85.59 3.88 38.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.693 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 29.3 p -144.03 147.02 33.27 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.3 ttp-105 -171.86 74.72 0.49 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -56.94 139.91 90.84 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.589 2.193 . . . . 0.0 112.068 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.2 t -75.51 145.11 41.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.682 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.39 146.68 54.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.461 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.27 75.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.748 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.635 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 88.4 p -74.92 -11.13 60.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.813 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.96 -11.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 62.9 p -78.96 159.0 27.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.485 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -98.53 127.11 44.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.539 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.662 -179.869 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 52.8 Cg_exo -56.54 138.84 86.05 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.609 2.206 . . . . 0.0 111.871 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 5.2 tp 52.14 8.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.721 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' -3' ' ' PRO . . . 81.75 3.89 90.48 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.4 t -62.81 139.77 58.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.699 0.285 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -67.23 129.29 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -64.37 153.16 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.487 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 76' ' ' ILE . 2.1 mp -79.41 127.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.4 146.19 55.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.067 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -66.15 145.97 55.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.9 mtp -73.11 144.65 46.9 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.424 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -75.06 163.49 27.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.409 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.04 -38.45 88.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.774 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.79 -42.47 97.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.811 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.14 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.686 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -62.25 -40.47 96.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.454 ' CE2' HD11 ' A' ' 89' ' ' LEU . 80.8 t80 -61.16 -46.27 91.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.67 95.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.24 -37.3 86.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.223 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.08 95.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.282 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.454 HD11 ' CE2' ' A' ' 85' ' ' PHE . 92.9 mt -64.48 -39.15 93.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -63.69 -41.19 98.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.443 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.5 mmt -64.36 -40.12 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -41.33 98.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.47 -39.51 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.456 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.71 -42.36 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.614 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -71.41 -30.45 66.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.474 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.54 -20.34 65.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -63.36 -25.3 68.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.577 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.77 -13.33 60.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.2 t -82.25 135.83 24.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.613 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.86 151.04 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.315 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.3 m -60.64 -41.8 95.64 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.993 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.475 ' O ' ' OE1' ' A' ' 106' ' ' GLU . 8.9 pt20 -61.11 -41.99 97.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.501 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -71.31 -34.29 70.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.391 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -61.52 -32.84 72.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.693 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.69 -43.37 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.84 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' A' ' 102' ' ' GLN . 60.3 mp0 -67.51 -39.86 85.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 110.488 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.11 -39.32 93.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.484 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.74 -40.78 98.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.66 -41.1 98.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.576 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.9 -40.14 83.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -64.38 -39.02 93.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.561 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -62.5 -42.33 99.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.481 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.27 96.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.955 0.407 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.92 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.99 93.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.513 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.11 -40.1 96.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.72 -39.82 95.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.651 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.18 -36.5 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.587 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -73.6 -27.68 61.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.783 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.8 m -88.73 -10.93 46.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.9 t 63.18 -174.56 0.15 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.433 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -100.07 153.65 37.65 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.582 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.71 141.75 74.89 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.888 1.725 . . . . 0.0 111.934 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 t -63.63 149.31 46.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.432 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -53.79 128.5 30.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.58 76.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.52 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 72.1 m -74.06 -22.7 59.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.654 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.61 -36.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.414 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.426 ' H ' ' C ' ' A' ' 127' ' ' SER . 92.9 m -93.21 123.78 36.72 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.174 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -76.84 136.88 38.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.525 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.442 179.855 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.447 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.846 0.355 . . . . 0.0 110.629 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -78.08 167.2 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.47 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.43 -42.66 96.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.024 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.85 -38.7 92.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.977 0.418 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.05 -40.84 98.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.456 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.83 -42.57 98.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.429 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -64.06 -40.55 96.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.105 0.478 . . . . 0.0 109.825 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.3 91.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.978 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.07 -38.71 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.46 95.37 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.282 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.5 -38.72 81.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.315 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.68 -41.04 98.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.36 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.89 -40.84 98.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -61.82 -41.89 98.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.18 0.514 . . . . 0.0 110.381 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.12 -41.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.139 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.05 -39.53 95.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.53 -40.82 92.91 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.505 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.98 79.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.269 0.556 . . . . 0.0 110.75 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -73.57 -13.04 60.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -75.92 -3.07 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.0 t . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.202 179.609 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.992 0.425 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.88 -38.35 90.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.61 -43.75 98.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -62.14 -41.68 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.963 0.411 . . . . 0.0 110.441 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -70.35 -35.76 73.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.621 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.25 79.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.504 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.32 -46.7 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.163 0.506 . . . . 0.0 110.422 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.5 -37.11 85.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.8 t -61.2 -40.42 93.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.214 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.018 179.291 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.952 0.406 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.0 p -79.42 167.23 21.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.542 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.81 -40.08 91.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.543 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.96 -42.18 99.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.585 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -66.68 -39.83 88.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.18 -42.03 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.41 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.13 -47.83 84.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.96 93.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.632 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 87' ' ' LEU . 1.3 tt -62.64 -41.18 98.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.176 0.513 . . . . 0.0 110.502 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.94 95.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.12 -36.38 79.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.45 -42.08 99.21 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.194 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.07 -39.14 89.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.463 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.2 p -63.76 -38.64 91.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.23 -40.64 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.36 -42.62 98.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 99' ' ' VAL . 99.6 mt-10 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.395 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.41 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.5 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -72.88 -27.69 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -99.49 -20.25 16.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.334 0.588 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 95' ' ' GLU . 60.7 t . . . . . 0 C--N 1.314 -0.971 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.78 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.82 0.343 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.51 -39.0 92.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.28 -44.38 96.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -62.69 -40.91 98.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.28 -42.32 98.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.34 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.45 91.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.26 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.975 0.416 . . . . 0.0 110.523 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.75 96.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.627 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.56 -39.19 92.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.3 m -62.59 -39.86 95.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.69 179.782 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.526 ' C ' HE22 ' A' ' 84' ' ' GLN . 25.8 mmt . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.853 0.359 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.554 ' O ' ' NE2' ' A' ' 84' ' ' GLN . 59.9 p -77.37 166.14 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -60.94 -36.49 79.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.87 -40.61 95.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.67 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.668 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 80' ' ' THR . 1.1 mp0 -64.91 -41.82 95.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.723 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -61.49 -46.81 88.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.654 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.22 82.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.11 -42.48 98.61 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.833 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.73 97.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.429 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -68.83 -38.35 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.654 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.4 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.149 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.21 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.515 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 t -62.46 -41.92 99.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.053 0.454 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.59 -40.17 95.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -62.18 -40.45 96.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.35 -40.98 96.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.41 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.94 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -69.78 -24.32 63.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -74.23 -6.97 50.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.033 179.512 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.914 0.388 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.16 -36.99 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.57 -43.74 98.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -61.74 -39.75 92.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.47 -39.43 93.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.496 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.19 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.351 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.73 -40.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.796 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.18 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.243 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -39.25 84.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.787 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.821 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.375 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.1 p -78.25 166.82 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.698 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.42 -40.79 95.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.64 -39.93 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -63.26 -41.62 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.01 -42.54 98.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.42 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.91 -46.43 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.63 91.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.29 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.561 ' O ' HD23 ' A' ' 87' ' ' LEU . 1.1 tt -61.94 -40.06 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.198 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.27 90.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.205 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.73 -37.67 88.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.752 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.91 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.604 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.429 ' O ' ' OE2' ' A' ' 95' ' ' GLU . 75.1 mtm -64.46 -40.37 95.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.777 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -61.84 -38.16 87.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.343 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.67 -42.35 98.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -61.57 -41.64 97.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.221 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.37 84.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.142 0.496 . . . . 0.0 110.841 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -65.54 -23.66 66.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -72.44 -12.31 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 C--N 1.317 -0.815 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.317 179.425 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.847 0.356 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.1 -41.92 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -42.19 98.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.458 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.66 -40.91 98.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.49 -43.26 99.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.24 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.272 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.1 -45.37 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.24 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -63.36 -40.46 97.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.1 p -64.89 -39.44 93.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.2 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.531 ' SD ' ' NE2' ' A' ' 84' ' ' GLN . 21.5 ptp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.1 p -76.39 165.65 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.41 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -61.8 -38.48 88.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.607 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.459 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -64.19 -38.89 92.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.531 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 26.3 mm-40 -60.74 -43.39 98.01 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.569 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -61.92 -47.81 83.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.471 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.94 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.427 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' O ' ' SD ' ' A' ' 91' ' ' MET . 60.5 tp -61.01 -42.21 98.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.511 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.16 89.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.23 -39.1 93.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.781 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.78 -39.17 93.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.419 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -62.57 -42.22 99.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.659 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.6 p -62.89 -39.85 95.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.298 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -66.78 -41.52 87.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.767 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 88.0 mt-30 -62.32 -40.93 97.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.3 -40.87 95.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.05 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 110.688 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -81.21 -20.97 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.5 OUTLIER -87.9 10.31 19.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 96' ' ' ALA . 76.5 t . . . . . 0 C--N 1.321 -0.66 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.77 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.54 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 50.4 tp10 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.677 0.275 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.69 -39.01 93.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.429 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -63.41 -44.02 95.83 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.471 -179.09 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 89.9 mtm180 -64.41 -39.51 93.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -61.77 -42.05 98.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.0 97.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.51 -44.16 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.86 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.18 -38.54 91.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -62.88 -40.17 96.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 118' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.899 0.381 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.1 p -77.49 165.86 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.396 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.49 -43.58 98.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.701 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.94 -43.4 88.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.557 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -66.32 -39.37 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.758 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.07 -42.59 98.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.066 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.09 -49.2 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.779 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.51 97.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.36 -38.88 92.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.693 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.21 94.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.548 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -71.61 -42.7 67.36 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.101 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -66.88 -39.59 87.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.818 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.3 mmt -62.93 -41.55 99.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -62.5 -40.14 95.76 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.587 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.7 -42.67 70.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.65 -42.18 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.13 -39.06 91.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.44 90.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -72.77 -24.64 60.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -73.68 -10.6 59.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.189 0.518 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.313 -1.012 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.699 179.461 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.888 0.375 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.26 -36.48 82.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.54 -45.11 95.56 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.174 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -62.74 -39.64 94.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.309 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.34 -40.32 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.445 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.42 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.9 mm -63.89 -44.95 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.51 97.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.69 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.7 -39.44 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.6 t -63.17 -41.25 99.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.928 0.394 . . . . 0.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.852 0.358 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -78.06 165.19 24.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -62.25 -37.48 85.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.92 -41.76 98.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.81 -40.93 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.691 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.73 -41.65 98.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.58 -46.8 88.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.256 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -42.45 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.344 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.44 96.33 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.761 -0.375 . . . . 0.0 110.643 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.35 -36.84 82.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.252 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.49 -41.76 99.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.72 -40.83 97.72 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.767 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.6 p -64.58 -38.93 92.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.76 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.89 -39.97 94.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.03 -40.73 98.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.79 -40.95 97.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 0.0 110.534 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.99 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -80.9 -9.35 59.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.08 6.35 6.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.4 . . . . 0.0 110.256 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.019 179.534 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.72 0.295 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.88 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.94 -40.17 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.105 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -62.31 -41.42 98.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 0.0 109.685 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.94 -42.69 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.917 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.473 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.84 -43.38 98.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.316 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.07 93.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -39.58 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.91 -40.57 97.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.484 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.331 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 79' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.787 0.327 . . . . 0.0 110.679 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.7 p -77.92 165.81 23.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.515 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 12.8 pm0 -59.81 -34.33 72.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.22 -40.6 94.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' O ' HD13 ' A' ' 87' ' ' LEU . 98.6 mt-10 -65.88 -39.05 90.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.313 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.77 -44.54 93.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.08 93.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 83' ' ' GLU . 6.0 mp -61.94 -40.24 94.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.496 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.95 96.38 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.257 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.98 -38.09 87.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.451 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.71 -40.6 97.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.627 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.11 -40.4 97.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -62.85 -40.71 98.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.435 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 24.0 mm100 -62.26 -40.93 97.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.5 -41.77 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.304 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.76 87.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.145 0.497 . . . . 0.0 110.722 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -67.73 -25.18 65.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -75.44 1.74 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.478 -179.747 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.354 179.733 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.909 0.385 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.26 -39.09 93.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.357 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.21 -43.66 98.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.997 0.427 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -64.5 -41.77 96.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.67 91.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.497 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.95 -45.24 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.11 96.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.37 -38.74 92.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.535 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.6 m -62.97 -40.04 96.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.421 179.69 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.2 mmm . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.756 0.313 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.9 p -75.49 165.74 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.557 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.07 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.8 mp0 -62.86 -40.35 97.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.414 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -63.9 -39.76 94.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.697 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.88 -41.95 98.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.461 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.98 -46.29 89.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.667 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.9 87.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.2 -38.4 88.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.82 97.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.45 -37.22 80.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.436 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 62.0 mtt -63.74 -40.02 95.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.522 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -61.73 -40.87 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.013 0.435 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.02 -40.12 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.982 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.99 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.42 -43.08 99.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.498 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.21 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.136 0.494 . . . . 0.0 110.774 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -68.48 -22.55 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.34 -4.28 38.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.106 0.479 . . . . 0.0 111.105 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.048 179.414 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.744 0.307 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.93 0.395 . . . . 0.0 110.049 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.49 -42.97 99.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -62.33 -41.84 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.208 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.86 -39.13 93.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.44 91.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.632 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -68.73 -42.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.859 0.362 . . . . 0.0 110.389 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.72 -40.04 95.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.1 m -63.44 -40.86 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.459 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.725 179.655 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.881 0.372 . . . . 0.0 110.473 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -78.08 164.84 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.396 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.42 -41.39 98.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -65.51 -40.26 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.17 -42.41 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.521 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.403 HE21 ' HG3' ' A' ' 79' ' ' MET . 96.3 mt-30 -62.88 -41.16 99.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.98 0.419 . . . . 0.0 110.048 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -63.64 -42.29 98.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.87 87.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.388 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.47 -39.91 94.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.482 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.96 -34.03 72.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.224 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -63.11 -41.96 99.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.417 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.15 -41.94 89.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.964 0.411 . . . . 0.0 110.411 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.9 m -66.61 -38.27 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.667 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.539 ' OE2' ' NE ' ' A' ' 97' ' ' ARG . 16.2 tm-20 -62.78 -41.77 99.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.02 -43.18 99.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.552 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 99' ' ' VAL . 78.9 mm-40 -66.58 -25.45 66.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.167 0.508 . . . . 0.0 110.724 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.16 72.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.375 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.539 ' NE ' ' OE2' ' A' ' 93' ' ' GLU . 2.2 mpt_? -66.16 -26.12 67.27 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.466 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.44 -15.71 30.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.309 0.576 . . . . 0.0 110.667 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 95' ' ' GLU . 79.0 t . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.692 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.597 0.237 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.94 -40.91 99.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.58 -41.04 80.22 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.568 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -61.47 -41.41 97.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.19 -39.07 93.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.07 -45.03 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.714 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -64.48 -40.52 95.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.4 p -64.4 -39.15 93.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.966 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.74 0.305 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.2 p -69.97 159.5 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.8 -41.99 98.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.522 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -64.19 -43.27 95.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -62.83 -43.76 97.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.335 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.16 -45.64 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.85 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' A' ' 91' ' ' MET . 61.3 tp -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.545 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.64 89.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.283 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.18 -36.88 85.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.658 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 94' ' ' GLN . 68.3 mttm -63.01 -41.72 99.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -65.61 -40.74 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.625 178.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -65.29 -37.84 88.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.489 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 97' ' ' ARG . 54.0 tp10 -61.82 -44.41 96.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 2.5 mp0 -64.02 -44.06 93.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.416 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.18 -36.05 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.357 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.46 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 93' ' ' GLU . 75.7 mmt-85 -62.9 -26.24 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.9 -13.54 57.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.126 0.489 . . . . 0.0 110.906 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.893 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 66.1 mm-40 . . . . . 0 CA--C 1.524 -0.047 0 CA-C-O 120.513 0.197 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.29 -39.67 95.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.85 -37.27 62.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.734 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 60.1 ttp180 -62.81 -44.84 95.1 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -72.49 -34.66 67.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.61 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.92 -43.26 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.449 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.67 -38.89 92.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.486 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -62.78 -40.27 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.111 0.481 . . . . 0.0 110.525 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.785 179.706 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.792 0.33 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.8 p -76.59 160.54 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.52 -42.49 98.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.69 -42.92 97.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.467 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.27 -40.28 93.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' A' ' 89' ' ' LEU . 58.8 t80 -61.64 -44.33 97.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.386 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.33 97.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.726 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.08 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.385 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.27 97.81 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.3 mt -66.63 -38.84 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -63.63 -41.53 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.504 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.3 mtt -63.63 -40.78 97.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.71 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.9 p -64.56 -38.59 91.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.649 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.46 -40.46 95.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -63.1 -42.46 99.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.457 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.38 -29.54 63.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.587 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.62 -20.11 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.742 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -62.87 -26.92 69.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.57 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.21 -9.01 43.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.975 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.856 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.35 -41.75 89.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.72 -40.79 95.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.1 0.476 . . . . 0.0 110.293 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.419 ' CA ' ' HE ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -60.93 -40.32 92.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.377 -179.562 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.48 -37.43 87.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.421 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.91 91.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.508 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.23 -41.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.122 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.23 92.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.83 -35.47 81.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.1 m -63.15 -22.78 67.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.678 -179.374 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.927 0.394 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.8 p -78.37 165.55 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.07 -39.29 91.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.96 -43.07 99.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.59 -43.09 97.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.471 . . . . 0.0 110.767 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.85 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.118 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.72 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.37 -39.69 93.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.298 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.39 89.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.099 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.32 -39.12 93.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -63.0 -40.55 98.11 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.505 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.3 mmm -64.7 -42.08 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.356 0.598 . . . . 0.0 110.229 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -66.62 -31.71 72.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.35 -43.83 96.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.17 -42.05 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -73.36 -32.09 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.652 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.61 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.586 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -62.16 -26.81 68.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.596 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -87.41 -12.95 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.614 179.725 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.4 -41.15 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.817 0.817 . . . . 0.0 110.324 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.25 -37.46 71.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -60.33 -42.42 95.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 18.8 ptpt -69.88 -33.23 71.96 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.785 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 112' ' ' LYS . . . -60.83 -41.74 96.37 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.561 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.3 mm -69.97 -40.87 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.359 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.06 96.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.544 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.81 -40.09 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.232 0.539 . . . . 0.0 110.361 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.444 -179.615 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.964 0.411 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.2 p -78.39 164.48 24.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.687 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -61.98 -34.98 77.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.07 -37.15 83.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -64.75 -40.46 95.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.598 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.01 -41.63 99.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 89' ' ' LEU . 84.1 t80 -61.88 -46.95 87.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.03 89.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.22 -41.87 97.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.38 96.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 110.473 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 85' ' ' PHE . 91.0 mt -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 110.398 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -63.33 -40.08 96.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.135 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.89 -41.0 99.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.5 m -63.1 -40.52 97.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.02 -39.93 95.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.478 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 95.5 mm-40 -63.26 -39.6 95.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.82 -39.94 90.87 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.263 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -63.23 -38.93 93.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.09 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.53 -18.86 39.99 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.478 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -88.71 10.34 21.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.108 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 96' ' ' ALA . 60.5 t . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.137 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.53 -40.06 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.142 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.0 -40.78 98.78 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.425 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -63.39 -41.29 98.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.52 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.77 92.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.614 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.72 -44.1 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.35 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.06 92.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.399 . . . . 0.0 110.537 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.73 -38.81 92.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.8 p -63.45 -38.28 90.52 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.609 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.061 0.457 . . . . 0.0 110.18 179.575 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.337 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -74.64 161.48 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.94 -43.83 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.62 -40.91 98.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.38 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.54 -42.8 99.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.504 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 89' ' ' LEU . 59.4 t80 -62.34 -44.82 95.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.47 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.82 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.04 -40.36 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.23 96.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 85' ' ' PHE . 87.8 mt -65.63 -37.39 86.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.856 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.76 -41.06 99.04 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.063 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.6 mtt -64.2 -41.36 97.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 0.0 110.309 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.495 ' CB ' HH12 ' A' ' 111' ' ' ARG . 74.8 m -65.72 -39.4 91.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.895 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.17 -41.61 99.26 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -62.97 -43.2 99.45 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.54 -37.25 74.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.836 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.66 -27.44 69.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.768 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -63.19 -26.11 68.65 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.81 -5.99 54.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.113 0.482 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 179.779 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.91 -42.87 97.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.495 HH12 ' CB ' ' A' ' 92' ' ' SER . 11.7 tpt180 -61.49 -40.36 94.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -61.91 -40.76 96.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.57 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.601 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.7 mm -65.92 -45.5 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.73 98.96 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.28 -40.63 94.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.3 p -64.2 -38.82 92.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.924 0.393 . . . . 0.0 110.709 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.0 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.695 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.0 mtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.674 0.273 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -74.23 159.57 32.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.33 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.7 -41.54 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -64.3 -42.36 96.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -63.5 -41.96 98.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CZ ' HD11 ' A' ' 89' ' ' LEU . 91.6 t80 -61.24 -47.04 87.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.86 90.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.374 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.88 -40.92 98.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -179.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.195 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.419 HD11 ' CZ ' ' A' ' 85' ' ' PHE . 8.7 mp -64.67 -40.12 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -63.0 -41.23 99.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.506 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.4 -41.1 85.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.68 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.6 m -64.22 -38.38 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.35 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.42 -42.85 99.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.411 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.99 -42.0 99.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.69 -35.95 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.297 0.57 . . . . 0.0 110.591 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.75 -37.0 80.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.86 -27.69 69.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.565 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.45 -14.99 34.14 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.113 0.483 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.315 -0.897 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.888 179.384 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.415 ' CG ' HH21 ' A' ' 111' ' ' ARG . 95.0 mt-10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.656 0.265 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.438 ' N ' HD22 ' A' ' 109' ' ' LEU . 4.1 mm? -68.16 -39.97 82.45 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.605 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.39 -44.18 95.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.415 HH21 ' CG ' ' A' ' 108' ' ' GLU . 90.0 mtm180 -66.13 -39.83 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -61.17 -43.82 98.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.05 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.7 mm -63.59 -45.58 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.23 97.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.38 -40.75 98.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.8 m -64.32 -39.67 94.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.906 -179.741 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 79' ' ' MET . 3.3 mpp? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.995 0.426 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -76.42 165.06 25.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -61.66 -42.63 99.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.15 -42.71 99.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.137 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.95 -40.42 96.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' HD11 ' A' ' 89' ' ' LEU . 78.0 t80 -61.31 -46.48 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.441 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.49 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.45 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.6 -42.2 98.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.135 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.1 89.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 85' ' ' PHE . 86.9 mt -63.29 -39.76 95.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -63.83 -38.82 92.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.133 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.2 mmm -61.94 -41.56 98.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.397 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.4 m -63.45 -40.16 96.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.35 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.95 -40.43 96.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -61.74 -39.18 90.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.162 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.28 -41.4 96.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.93 -38.01 79.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 110.54 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -68.64 -18.92 64.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.845 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -73.55 -13.68 61.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--N 1.317 -0.845 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.092 179.43 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.796 0.331 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.03 -41.24 82.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.44 -40.35 93.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.354 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.74 -40.86 96.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' A' ' 116' ' ' GLU . 26.5 ttpp -62.37 -42.47 99.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.72 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.54 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.27 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 110.135 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.02 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.592 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 112' ' ' LYS . 98.6 mt-10 -62.46 -38.37 89.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -62.6 -42.3 99.49 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.328 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.326 -0.444 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.537 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.865 0.364 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.1 p -77.81 162.92 26.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.47 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.86 -41.46 99.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.708 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.07 -40.69 96.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -62.95 -41.65 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.93 -47.27 85.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.77 82.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.403 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.45 -41.05 96.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.01 94.21 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.537 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 89' ' ' LEU . 4.2 mm? -65.75 -40.06 91.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.807 179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -63.51 -40.84 98.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.341 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.4 mtp -62.72 -40.56 97.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.7 p -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.087 0.47 . . . . 0.0 110.479 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.56 -39.45 93.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.21 -39.25 94.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.377 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.89 -42.79 98.69 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.352 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.33 -38.82 92.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.57 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -71.31 -19.64 62.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -79.22 2.98 19.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 96' ' ' ALA . 88.4 t . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.2 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 108' ' ' GLU . 1.2 mp0 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.97 -40.77 96.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.797 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.3 -42.98 99.11 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.402 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.31 -42.53 99.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.21 -39.82 89.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.698 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.43 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.9 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.286 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -40.12 95.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.7 p -63.91 -39.48 94.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.34 179.575 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.46 0.062 0 CA-C-O 120.834 0.349 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.1 p -78.07 162.9 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' GLU . 22.3 pt-20 -62.94 -40.8 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 81' ' ' GLU . 98.9 mt-10 -64.72 -40.86 96.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.542 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.63 -40.57 92.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.51 -40.76 95.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.419 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 89' ' ' LEU . 91.7 t80 -61.5 -46.88 88.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.54 93.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.7 -39.23 93.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.719 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.55 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 85' ' ' PHE . 86.7 mt -64.4 -38.88 92.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.081 0.467 . . . . 0.0 110.44 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -64.55 -39.07 93.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.0 p -63.2 -39.62 95.15 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.279 0.562 . . . . 0.0 110.417 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.83 -39.58 93.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.431 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.7 -39.38 93.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.88 -41.5 96.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.109 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.82 78.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.278 0.561 . . . . 0.0 110.712 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -71.93 -17.07 62.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -74.46 -4.48 36.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.495 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.97 0.414 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.33 -39.38 92.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.21 -43.69 98.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.4 -40.89 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -63.76 -43.06 97.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.535 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.13 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.579 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.11 -45.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.429 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.44 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.77 -38.61 91.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.4 m -62.3 -40.1 95.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.722 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.546 179.562 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.834 0.349 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -75.06 163.49 27.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.409 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.04 -38.45 88.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.774 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.79 -42.47 97.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.811 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.14 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.686 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -62.25 -40.47 96.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.454 ' CE2' HD11 ' A' ' 89' ' ' LEU . 80.8 t80 -61.16 -46.27 91.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.67 95.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.24 -37.3 86.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.223 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.08 95.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.282 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.454 HD11 ' CE2' ' A' ' 85' ' ' PHE . 92.9 mt -64.48 -39.15 93.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -63.69 -41.19 98.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.443 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.5 mmt -64.36 -40.12 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -41.33 98.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.47 -39.51 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.456 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.71 -42.36 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.614 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -71.41 -30.45 66.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.474 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.54 -20.34 65.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -63.36 -25.3 68.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.577 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.77 -13.33 60.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.613 -179.757 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.791 0.329 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.66 -41.1 98.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.576 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.9 -40.14 83.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -64.38 -39.02 93.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.561 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -62.5 -42.33 99.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.481 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.27 96.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.955 0.407 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.92 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.99 93.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.513 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.11 -40.1 96.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.72 -39.82 95.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.651 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.587 -179.727 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.53 142.96 98.55 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.737 2.291 . . . . 0.0 111.888 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 67.7 mt 56.17 16.45 2.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 71.32 22.45 78.56 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.0 m -67.68 143.9 55.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.59 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -73.46 139.26 45.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.68 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.32 151.67 43.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.477 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.2 mm -77.49 126.2 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.412 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.53 159.85 31.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -61.09 144.62 53.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.167 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.407 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.0 OUTLIER -85.96 143.69 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.629 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.3 p -78.08 167.2 21.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.47 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.43 -42.66 96.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.024 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.85 -38.7 92.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.977 0.418 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.05 -40.84 98.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.456 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.83 -42.57 98.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.429 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -64.06 -40.55 96.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.105 0.478 . . . . 0.0 109.825 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.3 91.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.978 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.07 -38.71 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.46 95.37 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.282 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.5 -38.72 81.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.315 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.68 -41.04 98.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.36 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.89 -40.84 98.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.672 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 t -61.82 -41.89 98.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.18 0.514 . . . . 0.0 110.381 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -64.12 -41.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.139 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.05 -39.53 95.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -60.53 -40.82 92.91 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.505 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.94 -38.98 79.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.269 0.556 . . . . 0.0 110.75 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -73.57 -13.04 60.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -75.92 -3.07 33.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.12 128.88 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.202 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 100' ' ' ASN . 45.9 p-10 -82.76 127.08 33.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.762 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.7 m -67.24 -21.73 65.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.616 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -61.25 -28.75 69.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.226 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.22 -43.07 99.46 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.32 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.19 -41.12 77.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.019 0.438 . . . . 0.0 110.528 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.18 -40.02 90.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.422 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.08 -41.65 97.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.186 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.51 -43.11 99.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.89 -42.26 97.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.523 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.88 -38.35 90.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.546 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.61 -43.75 98.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.38 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -62.14 -41.68 98.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.963 0.411 . . . . 0.0 110.441 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -70.35 -35.76 73.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.621 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.25 79.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.504 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.32 -46.7 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.243 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.9 -41.6 99.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.163 0.506 . . . . 0.0 110.422 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.5 -37.11 85.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.412 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.8 t -61.2 -40.42 93.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.214 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.98 -30.58 69.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.018 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -96.16 8.63 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.383 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.0 p -89.07 1.96 54.8 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.337 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 92.2 m -42.77 125.95 3.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.884 0.373 . . . . 0.0 110.372 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.531 ' C ' ' HE ' ' A' ' 122' ' ' ARG . 0.0 OUTLIER -150.97 74.74 8.41 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 121.201 0.524 . . . . 0.0 110.087 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.473 ' O ' ' NE ' ' A' ' 122' ' ' ARG . 39.8 Cg_exo -58.13 142.18 96.9 Favored 'Trans proline' 0 C--N 1.303 -1.842 0 C-N-CA 122.66 2.24 . . . . 0.0 111.967 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.9 t -67.54 144.34 55.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.366 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.92 135.81 56.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.51 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.84 -35.66 81.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.629 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 82.0 p -74.78 -19.13 60.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.781 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.22 11.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.9 m -92.17 133.04 36.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.779 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -75.91 140.0 41.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.7 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.498 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.36 138.31 79.53 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.683 2.255 . . . . 0.0 111.853 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 46.6 mt -107.41 61.5 0.62 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.37 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.25 24.56 73.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 69.3 m -61.25 144.95 52.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.546 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -61.08 143.76 54.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.46 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -57.85 153.64 13.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.417 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 94.2 mt -69.64 128.49 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.522 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.86 168.55 19.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.652 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -58.37 147.42 31.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.652 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -67.86 135.68 52.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.758 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.0 p -79.42 167.23 21.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.542 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.81 -40.08 91.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.543 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.96 -42.18 99.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.585 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -66.68 -39.83 88.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -61.18 -42.03 97.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.41 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -61.13 -47.83 84.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.96 93.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.632 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 87' ' ' LEU . 1.3 tt -62.64 -41.18 98.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.176 0.513 . . . . 0.0 110.502 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.94 95.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.442 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.12 -36.38 79.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.45 -42.08 99.21 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.194 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.07 -39.14 89.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.463 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.2 p -63.76 -38.64 91.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.23 -40.64 96.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.36 -42.62 98.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 99' ' ' VAL . 99.6 mt-10 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 110.395 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -25.41 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.5 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -72.88 -27.69 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -99.49 -20.25 16.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.334 0.588 . . . . 0.0 111.212 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 95' ' ' GLU . 60.7 t -87.19 155.57 3.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.78 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.457 ' N ' HG12 ' A' ' 99' ' ' VAL . 98.9 m-20 -51.52 154.22 1.95 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.201 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.3 p -60.87 -21.79 63.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.327 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -61.01 -40.93 95.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.405 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -65.85 -39.38 90.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.675 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -62.43 -40.5 96.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.474 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -62.97 -41.36 99.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.072 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -63.08 -42.09 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.93 -41.13 97.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.191 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.89 -41.18 99.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.275 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.51 -39.0 92.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.28 -44.38 96.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -62.69 -40.91 98.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.28 -42.32 98.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.34 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.45 91.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.787 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.26 -44.05 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.975 0.416 . . . . 0.0 110.523 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.65 -40.75 96.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.627 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.56 -39.19 92.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.754 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.3 m -62.59 -39.86 95.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.8 mp -81.51 -33.87 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.69 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 30.4 m120 -73.83 -10.55 59.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.341 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.1 m -76.26 -14.14 60.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.991 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 51.2 t -83.64 119.14 24.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.053 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 tpt85 -142.82 79.19 15.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.19 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.2 147.68 64.44 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 123.017 2.478 . . . . 0.0 112.264 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.4 m -63.63 145.0 56.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.482 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.77 154.06 42.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.6 -33.32 71.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.42 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.65 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 68.3 m -76.31 -7.73 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.634 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.78 9.01 1.54 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.398 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.8 m -94.96 123.24 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.376 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -95.37 139.59 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.453 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.556 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.526 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 30.9 Cg_exo -59.77 146.36 95.75 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.684 2.256 . . . . 0.0 111.826 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.621 ' N ' HD12 ' A' ' -2' ' ' LEU . 8.8 mp -61.32 -38.13 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.703 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 84.59 3.46 88.32 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 83.8 p -70.08 158.35 35.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 110.56 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -74.0 133.81 43.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.668 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -72.24 138.07 47.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.369 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.8 mm -66.04 126.47 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.337 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.88 150.95 34.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.561 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.424 ' N ' ' CD ' ' A' ' 78' ' ' GLN . 4.0 mp0 -75.82 143.94 41.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.526 ' C ' HE22 ' A' ' 84' ' ' GLN . 25.8 mmt -80.06 141.34 35.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.492 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.554 ' O ' ' NE2' ' A' ' 84' ' ' GLN . 59.9 p -77.37 166.14 23.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -60.94 -36.49 79.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.351 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.87 -40.61 95.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -62.67 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.668 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.554 ' NE2' ' O ' ' A' ' 80' ' ' THR . 1.1 mp0 -64.91 -41.82 95.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.723 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -61.49 -46.81 88.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.654 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.22 82.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.75 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.11 -42.48 98.61 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.833 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.73 97.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.441 . . . . 0.0 110.429 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -68.83 -38.35 79.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.654 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.4 -41.18 98.75 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.149 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.5 mmt -63.21 -40.88 98.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.515 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.2 t -62.46 -41.92 99.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.053 0.454 . . . . 0.0 110.381 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.59 -40.17 95.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -62.18 -40.45 96.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.35 -40.98 96.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.41 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.94 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -69.78 -24.32 63.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -74.23 -6.97 50.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.66 128.59 35.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.033 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -83.58 120.71 26.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.7 p -76.86 -25.35 53.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.57 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -64.43 -31.53 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.706 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.02 -40.91 99.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.147 0.499 . . . . 0.0 110.619 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.43 -39.39 62.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.43 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.66 -46.57 85.02 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.079 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 107' ' ' GLU . 3.1 pp20? -68.15 -34.1 75.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.514 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 53.0 tp10 -61.78 -43.21 99.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.169 -179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.27 -45.63 90.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.642 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.16 -36.99 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.57 -43.74 98.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -61.74 -39.75 92.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.416 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -62.47 -39.43 93.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.496 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.19 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.351 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.73 -40.79 88.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.796 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.18 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.243 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.74 -39.25 84.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.787 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.55 -39.56 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.19 -35.88 76.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -72.11 -25.72 61.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.661 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.3 t -105.09 7.73 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.629 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 122' ' ' ARG . 50.8 t -72.16 -108.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.701 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.665 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 16.7 ttm180 -67.99 -40.74 24.1 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.154 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 50.8 Cg_exo -56.65 140.46 90.36 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.705 2.27 . . . . 0.0 111.984 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.8 m -72.47 150.96 42.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.504 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.48 149.37 46.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -34.2 73.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.519 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.633 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 73.4 m -83.05 -10.73 58.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.632 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.35 -46.86 0.37 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.865 0.364 . . . . 0.0 110.593 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.7 t -93.91 150.77 20.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.372 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -79.67 137.22 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.516 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.734 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.18 -35.45 90.93 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.739 2.293 . . . . 0.0 111.909 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.65 131.94 44.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.314 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 75.68 10.99 84.79 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 84.9 p -67.83 158.5 32.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 110.448 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.83 136.89 45.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.651 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -67.42 151.18 47.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.646 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.685 HD12 ' N ' ' A' ' 76' ' ' ILE . 1.8 mp -79.81 127.74 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.266 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.65 171.44 9.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.468 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -58.82 144.21 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.255 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.6 mtm -68.34 136.32 53.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.489 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.1 p -78.25 166.82 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.698 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.42 -40.79 95.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.39 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.64 -39.93 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -63.26 -41.62 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.38 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.01 -42.54 98.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.42 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.91 -46.43 89.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.088 0.47 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.63 91.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.29 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.561 ' O ' HD23 ' A' ' 87' ' ' LEU . 1.1 tt -61.94 -40.06 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.198 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.27 90.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.205 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.73 -37.67 88.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.752 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.91 -40.88 98.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.604 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.429 ' O ' ' OE2' ' A' ' 95' ' ' GLU . 75.1 mtm -64.46 -40.37 95.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.777 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -61.84 -38.16 87.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.962 0.411 . . . . 0.0 110.474 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -65.62 -38.29 89.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.343 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.67 -42.35 98.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' OE1' ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -61.57 -41.64 97.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.221 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.37 84.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.142 0.496 . . . . 0.0 110.841 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -65.54 -23.66 66.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -72.44 -12.31 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.1 t -82.09 128.19 38.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.317 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -84.26 118.38 24.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.9 p -77.54 -31.57 53.37 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.39 0.614 . . . . 0.0 110.853 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -65.51 -29.59 70.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.647 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.36 -42.98 99.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.25 -39.67 82.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.461 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.88 -41.82 97.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.38 -40.01 95.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.568 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -61.86 -40.32 94.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.56 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -63.8 -41.91 97.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.1 -41.92 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.57 -42.19 98.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.458 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.66 -40.91 98.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.49 -43.26 99.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.24 93.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.272 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.1 -45.37 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.582 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.24 98.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -63.36 -40.46 97.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.713 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.1 p -64.89 -39.44 93.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.896 0.379 . . . . 0.0 110.672 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.2 mt -71.56 -34.94 70.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -68.81 -28.7 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.669 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.496 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 96.7 p -98.63 -14.77 19.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.472 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 120' ' ' SER . 17.2 p 40.13 -165.09 0.0 OUTLIER 'General case' 0 C--O 1.237 0.421 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -77.04 152.42 82.28 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.742 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.24 146.71 59.07 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 122.355 2.036 . . . . 0.0 111.813 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.0 p -67.82 159.09 31.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.46 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -77.84 124.89 28.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.486 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.84 -24.75 63.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.601 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 60.6 p -73.4 -20.64 60.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.21 33.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.231 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.6 t -76.39 138.56 40.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -90.29 137.71 32.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.385 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.557 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.36 -28.54 63.17 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.65 2.233 . . . . 0.0 112.018 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 78.7 mt -71.61 127.44 32.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.54 12.48 82.39 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.8 m -66.94 152.68 45.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -67.19 146.77 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.417 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -66.94 148.29 52.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.1 mt -89.23 132.45 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.636 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.3 161.65 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.52 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -57.11 127.07 30.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.575 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.531 ' SD ' ' NE2' ' A' ' 84' ' ' GLN . 21.5 ptp -84.5 148.25 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.734 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.1 p -76.39 165.65 24.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.41 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -61.8 -38.48 88.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.607 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.4 -39.31 92.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.459 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -64.19 -38.89 92.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.531 ' NE2' ' SD ' ' A' ' 79' ' ' MET . 26.3 mm-40 -60.74 -43.39 98.01 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.569 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -61.92 -47.81 83.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.353 0.597 . . . . 0.0 110.471 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.94 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.427 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' O ' ' SD ' ' A' ' 91' ' ' MET . 60.5 tp -61.01 -42.21 98.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.511 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.16 89.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.23 -39.1 93.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.781 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.78 -39.17 93.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.419 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -62.57 -42.22 99.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.659 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.6 p -62.89 -39.85 95.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.298 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -66.78 -41.52 87.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.767 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 88.0 mt-30 -62.32 -40.93 97.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.3 -40.87 95.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.875 0.369 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.05 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 110.688 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -81.21 -20.97 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.5 OUTLIER -87.9 10.31 19.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 96' ' ' ALA . 76.5 t -61.47 134.21 26.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.77 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -55.04 131.2 44.38 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.117 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.9 p -67.32 -21.17 65.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.287 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.93 -30.27 70.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.478 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.08 -43.04 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.654 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.1 mp0 -71.2 -37.42 72.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.398 0.618 . . . . 0.0 110.579 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.44 -35.97 79.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.095 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -59.4 -40.01 85.23 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.145 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.14 -40.27 95.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.54 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 50.4 tp10 -62.22 -45.63 92.47 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.849 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.69 -39.01 93.26 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.429 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -63.41 -44.02 95.83 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.471 -179.09 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.54 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 89.9 mtm180 -64.41 -39.51 93.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -61.77 -42.05 98.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.0 97.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.51 -44.16 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.86 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.592 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.18 -38.54 91.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -62.88 -40.17 96.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.889 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 118' ' ' LEU . 4.4 mm? -78.48 -34.53 47.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -71.36 -24.28 62.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.537 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.0 m -79.83 -10.3 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.345 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 89.3 m 54.83 63.94 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 123' ' ' PRO . 11.9 mmm-85 -44.15 -60.47 2.77 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.672 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 122' ' ' ARG . 27.5 Cg_endo -61.38 145.59 98.07 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.489 2.126 . . . . 0.0 111.902 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.3 t -65.73 144.77 56.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -61.69 161.8 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.445 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.21 70.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.748 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.627 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 85.0 p -73.68 -11.45 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.841 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.14 -20.58 0.38 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.88 0.371 . . . . 0.0 110.488 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.8 p -79.66 158.88 26.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.59 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -90.2 127.96 36.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.604 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.545 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.55 -29.71 85.91 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.765 2.31 . . . . 0.0 111.587 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.99 118.5 11.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.283 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 91.25 -16.42 58.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.7 m -73.79 146.55 44.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.67 0.271 . . . . 0.0 110.707 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -70.59 141.51 51.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.724 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -66.09 139.43 58.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.61 HD12 ' N ' ' A' ' 76' ' ' ILE . 4.4 mp -85.09 125.15 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.07 146.93 34.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.519 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -70.58 138.68 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.425 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 mtt -86.6 132.18 33.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.517 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.1 p -77.49 165.86 23.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.396 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.49 -43.58 98.61 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.701 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.94 -43.4 88.12 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.557 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -66.32 -39.37 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.758 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.07 -42.59 98.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.066 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.09 -49.2 78.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.779 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.51 97.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.158 0.504 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.36 -38.88 92.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.693 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.21 94.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.548 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 89' ' ' LEU . 4.1 mm? -71.61 -42.7 67.36 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.101 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -66.88 -39.59 87.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.818 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.3 mmt -62.93 -41.55 99.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.4 p -62.5 -40.14 95.76 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.587 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.7 -42.67 70.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.65 -42.18 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.13 -39.06 91.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.44 90.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 8.2 mpt_? -72.77 -24.64 60.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -73.68 -10.6 59.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.189 0.518 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -82.8 157.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.699 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -48.85 160.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.988 0.423 . . . . 0.0 110.372 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.4 p -61.44 -23.89 66.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.674 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -62.11 -44.5 96.52 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.935 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 103' ' ' GLU . 49.2 mp0 -75.98 -31.52 59.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.108 0.48 . . . . 0.0 111.123 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.83 -36.02 78.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.424 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -62.11 -40.05 94.57 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.58 -41.77 99.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.888 0.375 . . . . 0.0 110.373 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HG3' ' NH1' ' A' ' 111' ' ' ARG . 50.5 tt0 -63.91 -40.79 97.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.295 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.14 -41.08 97.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.26 -36.48 82.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.54 -45.11 95.56 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.174 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 107' ' ' GLU . 11.9 mpt_? -62.74 -39.64 94.75 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.309 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.34 -40.32 95.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.445 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.42 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.9 mm -63.89 -44.95 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.519 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.51 97.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.69 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.7 -39.44 94.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.506 ' OG ' ' CZ ' ' A' ' 122' ' ' ARG . 46.6 t -63.17 -41.25 99.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.928 0.394 . . . . 0.0 110.72 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.75 -35.18 78.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.611 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -83.01 -25.39 32.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 121' ' ' CYS . 74.2 m -78.45 -19.37 53.29 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.622 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.494 ' O ' ' O ' ' A' ' 120' ' ' SER . 83.9 m 55.93 125.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.8 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.506 ' CZ ' ' OG ' ' A' ' 117' ' ' SER . 15.2 ptp180 -138.48 56.96 10.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.441 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 53.4 Cg_endo -68.65 153.59 73.09 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.927 2.418 . . . . 0.0 112.147 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.2 m -66.66 162.71 20.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.716 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.04 156.9 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.43 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.37 -25.68 64.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.465 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.645 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 33.1 t -73.23 -12.87 61.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.642 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 80.29 7.98 1.46 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.464 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.4 p -81.85 158.81 23.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.33 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -101.8 140.68 35.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.45 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.58 179.633 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.412 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 40.4 Cg_endo -67.57 150.35 79.93 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.5 2.133 . . . . 0.0 111.858 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 9.0 tp -73.66 51.04 0.35 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.418 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 83.0 -3.32 84.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 40.0 t -66.92 140.59 57.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 0.0 110.438 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -67.38 149.68 49.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.572 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -58.85 152.8 18.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.558 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.7 mt -88.17 131.29 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.43 149.31 38.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.655 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.32 145.79 50.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.402 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.5 mtt -80.74 140.05 35.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.581 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -78.06 165.19 24.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -62.25 -37.48 85.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.92 -41.76 98.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.698 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.81 -40.93 96.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.691 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -63.73 -41.65 98.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.58 -46.8 88.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.256 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -42.45 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.344 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.49 -42.44 96.33 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.761 -0.375 . . . . 0.0 110.643 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.35 -36.84 82.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.252 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.49 -41.76 99.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 98.7 mtp -63.72 -40.83 97.72 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.767 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.6 p -64.58 -38.93 92.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.76 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.89 -39.97 94.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.03 -40.73 98.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.79 -40.95 97.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 0.0 110.534 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.99 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -80.9 -9.35 59.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.08 6.35 6.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.4 . . . . 0.0 110.256 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -74.91 128.85 37.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.019 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -82.54 127.63 33.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.462 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.5 p -66.78 -19.56 65.77 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.328 0.585 . . . . 0.0 110.666 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -60.09 -28.47 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.287 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 104' ' ' GLU . 19.7 pt-20 -61.45 -40.51 94.76 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.092 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 103' ' ' GLU . 98.9 mt-10 -67.7 -40.23 84.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.635 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.28 -42.48 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.211 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -62.39 -38.31 89.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.89 -41.12 95.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.32 -43.16 99.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.604 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.88 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.94 -40.17 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.105 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -62.31 -41.42 98.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.2 0.524 . . . . 0.0 109.685 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -63.94 -42.69 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.917 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.473 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.84 -43.38 98.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.316 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.07 93.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.354 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.26 -39.58 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.91 -40.57 97.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.484 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.86 -35.18 78.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -70.41 -28.25 64.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 0.0 110.478 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.4 m -92.4 -8.05 45.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 36.7 t -62.22 105.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.994 0.426 . . . . 0.0 110.627 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.64 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 35.3 mtt180 -82.13 -37.9 0.84 Allowed Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.243 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 41.7 Cg_exo -58.1 153.08 47.73 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.721 2.281 . . . . 0.0 112.027 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -60.76 143.87 53.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.14 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.3 148.73 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.642 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.69 -22.36 66.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.378 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 86.5 p -73.43 -14.94 61.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.733 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.8 36.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.541 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.0 m -74.52 129.36 37.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -91.48 134.31 34.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.318 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.4 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.31 -23.86 58.54 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.591 2.194 . . . . 0.0 111.97 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 71.8 mt -82.55 159.19 22.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.419 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 92.05 5.01 66.36 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 79.2 p -70.58 159.55 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.4 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.6 mmt-85 -66.43 141.44 57.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.405 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -75.23 147.78 40.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.76 HD12 ' N ' ' A' ' 76' ' ' ILE . 3.2 mp -84.93 125.31 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.568 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.89 159.57 34.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.408 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -63.5 147.73 50.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.238 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.541 ' SD ' ' N ' ' A' ' 79' ' ' MET . 1.0 OUTLIER -86.67 142.99 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.679 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.7 p -77.92 165.81 23.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.515 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 12.8 pm0 -59.81 -34.33 72.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.794 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.22 -40.6 94.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' O ' HD13 ' A' ' 87' ' ' LEU . 98.6 mt-10 -65.88 -39.05 90.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.313 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.77 -44.54 93.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.08 93.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 83' ' ' GLU . 6.0 mp -61.94 -40.24 94.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.496 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.95 96.38 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.257 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.98 -38.09 87.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.451 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.71 -40.6 97.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.627 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.11 -40.4 97.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.47 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -62.85 -40.71 98.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.435 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.98 -40.58 95.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.42 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 24.0 mm100 -62.26 -40.93 97.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.5 -41.77 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.304 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.76 87.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.145 0.497 . . . . 0.0 110.722 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -67.73 -25.18 65.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.683 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -75.44 1.74 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.478 -179.747 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.0 t -80.85 128.11 38.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.354 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.72 120.4 26.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.631 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.7 m -77.17 -21.36 54.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.697 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -61.15 -35.23 76.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.532 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.03 -43.17 99.28 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.518 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.67 -40.15 88.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 110.383 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.09 -38.91 92.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.629 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.07 -43.08 95.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.068 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.44 -41.4 98.7 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.61 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -63.82 -43.21 96.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.26 -39.09 93.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.357 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -62.21 -43.66 98.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.997 0.427 . . . . 0.0 110.606 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -64.5 -41.77 96.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.571 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.67 91.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.497 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.1 mt -62.95 -45.24 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.544 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.424 ' O ' ' OD1' ' A' ' 119' ' ' ASN . . . -61.57 -41.11 96.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.37 -38.74 92.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.535 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.414 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 74.6 m -62.97 -40.04 96.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.61 -33.83 62.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.421 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 115' ' ' ALA . 27.5 m120 -69.98 -26.76 64.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.697 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 74.1 m -83.96 -12.18 55.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.644 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 117' ' ' SER . 82.8 m -92.77 -152.33 0.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.574 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.24 148.08 89.99 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.548 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -67.77 146.59 73.09 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.633 2.222 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 72.4 m -77.69 146.04 36.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.487 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.05 134.49 49.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.55 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.69 -35.48 81.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.646 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.636 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 84.6 p -74.92 -17.01 60.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.74 21.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.1 m -78.6 130.48 35.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.638 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -77.57 130.61 37.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 p . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.505 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.62 152.48 64.87 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.718 2.278 . . . . 0.0 111.907 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 33.4 tp -155.53 -66.36 0.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 72.0 32.1 63.71 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.569 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 93.5 p -66.65 156.2 35.84 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.592 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -75.76 147.42 39.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -77.84 153.38 32.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.25 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.0 mm -76.01 125.19 35.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.926 0.393 . . . . 0.0 110.185 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.41 160.54 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.644 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.74 145.61 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.241 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.2 mmm -83.09 142.01 31.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.403 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.9 p -75.49 165.74 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.557 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.07 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.8 mp0 -62.86 -40.35 97.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.414 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -63.9 -39.76 94.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.697 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.88 -41.95 98.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.461 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.98 -46.29 89.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.667 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.9 87.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.2 -38.4 88.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.82 97.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.45 -37.22 80.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 110.436 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.85 -41.47 99.37 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 62.0 mtt -63.74 -40.02 95.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.522 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -61.73 -40.87 96.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.013 0.435 . . . . 0.0 109.965 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.02 -40.12 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.982 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.99 -39.91 93.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.207 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.42 -43.08 99.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.498 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.21 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.136 0.494 . . . . 0.0 110.774 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -68.48 -22.55 64.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -75.34 -4.28 38.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.106 0.479 . . . . 0.0 111.105 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.66 131.09 35.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.048 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 103' ' ' GLU . 28.2 t-20 -79.59 116.62 19.9 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.684 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.3 p -77.44 -24.1 50.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.729 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -63.28 -38.15 90.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.534 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.483 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 53.1 tp10 -61.57 -42.52 98.96 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.81 -42.42 95.01 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.231 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.05 -41.06 97.51 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.33 -39.73 94.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.661 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.13 -42.01 98.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.236 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.93 -41.65 91.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.93 0.395 . . . . 0.0 110.049 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.49 -42.97 99.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -62.33 -41.84 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.208 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -63.86 -39.13 93.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.768 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.44 91.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.632 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -68.73 -42.61 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.859 0.362 . . . . 0.0 110.389 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.24 97.73 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.72 -40.04 95.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.1 m -63.44 -40.86 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.459 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.36 -35.63 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.725 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -68.85 -27.83 66.17 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -88.89 -5.38 58.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.44 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 75.7 m 56.2 48.92 16.39 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.495 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 48.11 78.45 0.4 Allowed Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.89 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.18 151.25 72.37 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 121.972 1.781 . . . . 0.0 112.055 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.1 p -70.4 161.76 29.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.458 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.74 162.6 13.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.496 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.47 -13.57 9.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.405 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 74.7 m -72.7 -21.22 61.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.672 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.76 28.18 0.43 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.735 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.6 p -91.7 150.36 21.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.377 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -98.52 126.18 43.99 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.371 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.472 -179.694 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -53.48 -38.49 83.28 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.811 2.341 . . . . 0.0 112.063 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 85.8 mt -106.25 138.87 41.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 69.86 32.75 70.2 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 45.3 t -60.68 141.46 56.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.086 0.47 . . . . 0.0 110.58 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.39 155.37 40.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.583 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -61.05 150.48 33.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.025 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.3 mm -74.16 126.01 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.376 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.05 169.76 13.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -65.78 140.59 58.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.441 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.403 ' HG3' HE21 ' A' ' 84' ' ' GLN . 0.0 OUTLIER -79.06 132.45 36.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.473 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.0 p -78.08 164.84 24.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.396 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.42 -41.39 98.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -65.51 -40.26 92.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.685 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.17 -42.41 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.521 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.403 HE21 ' HG3' ' A' ' 79' ' ' MET . 96.3 mt-30 -62.88 -41.16 99.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.98 0.419 . . . . 0.0 110.048 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -63.64 -42.29 98.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.286 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.87 87.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.388 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.47 -39.91 94.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.482 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.96 -34.03 72.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.224 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -63.11 -41.96 99.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.417 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.2 mmt -66.15 -41.94 89.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.964 0.411 . . . . 0.0 110.411 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.9 m -66.61 -38.27 86.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.667 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.539 ' OE2' ' NE ' ' A' ' 97' ' ' ARG . 16.2 tm-20 -62.78 -41.77 99.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.51 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.02 -43.18 99.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.552 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 99' ' ' VAL . 78.9 mm-40 -66.58 -25.45 66.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.167 0.508 . . . . 0.0 110.724 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.16 72.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.375 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.539 ' NE ' ' OE2' ' A' ' 93' ' ' GLU . 2.2 mpt_? -66.16 -26.12 67.27 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.466 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -90.44 -15.71 30.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.309 0.576 . . . . 0.0 110.667 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 95' ' ' GLU . 79.0 t -83.19 140.1 16.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.692 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -54.74 152.57 6.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.25 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -59.94 -42.99 95.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.734 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.4 -42.13 92.92 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.631 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.2 -38.78 78.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.677 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.74 -42.12 99.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.419 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.42 -43.75 98.08 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.081 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.78 -44.54 95.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.542 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.16 -37.89 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.642 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.94 -41.82 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.385 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.94 -40.91 99.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.58 -41.04 80.22 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.568 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -61.47 -41.41 97.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.19 -39.07 93.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.86 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.555 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.07 -45.03 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.714 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -64.48 -40.52 95.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 89.4 p -64.4 -39.15 93.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.966 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.8 -35.86 72.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -80.15 -26.79 39.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.4 m -101.47 7.07 42.63 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.208 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 25.2 p -48.52 162.53 0.09 Allowed 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -138.33 129.52 15.6 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.446 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.94 148.03 75.48 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.993 1.796 . . . . 0.0 112.375 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.6 t -64.38 144.12 57.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.446 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.09 145.48 48.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.15 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.632 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 69.2 m -79.75 -17.15 54.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.04 22.93 0.58 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.7 m -76.89 132.25 39.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.725 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -76.96 139.46 40.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.48 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.505 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.21 149.79 58.31 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.645 2.23 . . . . 0.0 112.043 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 48.4 mt 50.57 -153.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.546 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.16 2.78 90.66 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 72.7 m -64.02 144.16 57.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.546 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -72.08 152.8 42.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.735 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -67.1 149.51 50.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.363 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.807 HD12 ' N ' ' A' ' 76' ' ' ILE . 2.3 mp -90.63 125.69 43.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.26 141.39 41.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.653 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -83.39 138.27 33.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.447 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.3 mtt -74.29 147.52 42.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.2 p -69.97 159.5 33.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.8 -41.99 98.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.522 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -64.19 -43.27 95.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.502 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -62.83 -43.76 97.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.315 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -61.63 -42.48 98.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.335 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.16 -45.64 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.372 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.85 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' O ' ' SD ' ' A' ' 91' ' ' MET . 61.3 tp -61.22 -41.99 97.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.545 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.64 89.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.283 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.18 -36.88 85.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.658 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' O ' ' OE1' ' A' ' 94' ' ' GLN . 68.3 mttm -63.01 -41.72 99.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.473 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.609 ' N ' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -65.61 -40.74 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.625 178.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.5 m -65.29 -37.84 88.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.489 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 97' ' ' ARG . 54.0 tp10 -61.82 -44.41 96.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.383 -178.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' OE1' ' O ' ' A' ' 90' ' ' LYS . 2.5 mp0 -64.02 -44.06 93.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.416 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.18 -36.05 76.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.357 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.24 -33.46 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 93' ' ' GLU . 75.7 mmt-85 -62.9 -26.24 68.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.924 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -81.9 -13.54 57.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.126 0.489 . . . . 0.0 110.906 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t -82.74 144.45 10.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 101' ' ' SER . 52.9 t-20 -54.01 152.75 5.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.377 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.505 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 47.4 t -60.64 -45.56 93.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.731 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.71 -42.39 86.47 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.969 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -70.19 -39.86 74.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.468 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.85 -41.24 99.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.213 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -61.78 -45.31 94.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.235 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.21 -40.32 95.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.987 0.422 . . . . 0.0 110.408 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.29 -41.33 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.573 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.489 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 66.1 mm-40 -61.96 -40.8 96.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.785 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.29 -39.67 95.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.85 -37.27 62.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.734 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.489 ' NH2' ' OE1' ' A' ' 108' ' ' GLU . 60.1 ttp180 -62.81 -44.84 95.1 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -72.49 -34.66 67.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.724 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.61 99.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.92 -43.26 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.464 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.78 93.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.449 -178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -63.67 -38.89 92.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.486 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.4 m -62.78 -40.27 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.111 0.481 . . . . 0.0 110.525 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.93 -34.71 77.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.785 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -71.53 -27.32 63.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.3 m -91.61 -11.85 35.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.647 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 65.3 m -89.62 -177.13 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.467 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 24.9 mmt85 53.73 53.91 11.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.639 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 42.5 Cg_endo -67.41 144.43 67.5 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.659 2.239 . . . . 0.0 112.086 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.1 m -70.64 144.74 51.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.539 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -73.11 154.6 40.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.713 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.09 -24.67 66.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.639 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 69.5 m -78.77 -7.96 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.19 2.41 2.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.439 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 71.5 p -89.54 158.94 17.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.417 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -89.28 124.57 34.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.522 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.549 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 31.2 Cg_exo -59.57 146.02 96.39 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.926 2.417 . . . . 0.0 111.863 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' -2' ' ' LEU . 0.1 OUTLIER -78.34 19.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.14 179.715 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' -3' ' ' PRO . . . 96.27 -22.72 38.33 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.6 m -74.69 145.55 43.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 110.499 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -69.94 151.6 45.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.289 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.516 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -58.81 149.86 25.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.562 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 30.4 mm -79.03 135.42 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.305 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.67 145.23 45.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.86 133.39 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.43 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.6 mtp -82.06 140.69 33.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.8 p -76.59 160.54 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.539 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.52 -42.49 98.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.69 -42.92 97.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.467 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.27 -40.28 93.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' A' ' 89' ' ' LEU . 58.8 t80 -61.64 -44.33 97.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.386 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.56 -41.33 97.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.726 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.08 -39.37 93.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.385 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.27 97.81 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 85' ' ' PHE . 98.3 mt -66.63 -38.84 87.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.524 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -63.63 -41.53 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.504 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 60.3 mtt -63.63 -40.78 97.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.71 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 92.9 p -64.56 -38.59 91.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.649 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -64.46 -40.46 95.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.768 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -63.1 -42.46 99.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.457 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.38 -29.54 63.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.587 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' O ' ' OE1' ' A' ' 103' ' ' GLU . . . -63.62 -20.11 65.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.742 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -62.87 -26.92 69.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.57 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -92.21 -9.01 43.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.975 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.466 ' O ' ' OE1' ' A' ' 103' ' ' GLU . 60.1 t -82.76 151.72 4.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.78 164.29 2.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.517 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -53.37 -18.7 2.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.621 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -56.84 -23.83 46.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.162 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' A' ' 99' ' ' VAL . 10.8 pt-20 -59.66 -29.5 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.185 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -62.86 -41.9 99.55 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.321 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -65.23 -40.08 93.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.131 0.491 . . . . 0.0 110.24 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.37 -40.64 97.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.492 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.33 -39.44 90.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.142 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.15 -41.47 98.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.315 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.35 -41.75 89.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.483 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.72 -40.79 95.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.1 0.476 . . . . 0.0 110.293 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.419 ' CA ' ' HE ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -60.93 -40.32 92.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.377 -179.562 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.48 -37.43 87.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.421 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.91 91.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.508 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.23 -41.19 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.122 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.23 92.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.51 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.83 -35.47 81.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.1 m -63.15 -22.78 67.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.84 -35.51 78.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.678 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -90.65 -24.77 20.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.71 0.291 . . . . 0.0 110.573 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.3 m -95.1 -2.07 50.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.505 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 37.0 m 57.17 -162.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -132.69 76.13 71.86 Favored Pre-proline 0 N--CA 1.464 0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.451 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.09 141.13 80.31 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.636 2.224 . . . . 0.0 111.863 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.4 t -63.49 145.55 55.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.507 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -55.81 143.38 31.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.552 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.8 -20.75 62.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.555 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.638 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 73.3 m -72.77 -19.5 61.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.515 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.43 -18.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.2 p -80.77 158.65 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.691 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -78.51 139.65 38.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.582 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' A' ' 131' ' ' SER . 53.1 p . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.62 -16.51 55.6 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.965 2.443 . . . . 0.0 111.919 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 99.2 mt -60.46 -31.16 70.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.401 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 75.8 24.64 69.16 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.0 t -60.88 140.72 57.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.587 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -64.8 142.54 58.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.681 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -58.23 148.48 27.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.64 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 92.7 mt -88.52 127.18 41.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.399 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.62 168.42 19.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -58.34 145.97 36.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.425 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 78.0 mtm -68.84 135.0 50.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.429 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.8 p -78.37 165.55 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.07 -39.29 91.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.1 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.96 -43.07 99.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.59 -43.09 97.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.088 0.471 . . . . 0.0 110.767 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -63.4 -40.21 96.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -62.85 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.118 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.72 95.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.529 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.37 -39.69 93.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 0.0 110.298 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.39 89.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.099 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.32 -39.12 93.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.725 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -63.0 -40.55 98.11 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.505 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.3 mmm -64.7 -42.08 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.356 0.598 . . . . 0.0 110.229 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.9 p -66.62 -31.71 72.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.322 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.35 -43.83 96.56 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.17 -42.05 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.124 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -73.36 -32.09 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.652 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.53 -22.61 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.586 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -62.16 -26.81 68.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.596 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -87.41 -12.95 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.402 0.62 . . . . 0.0 110.883 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 100' ' ' ASN . 26.1 t -82.91 155.79 3.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.614 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 101' ' ' SER . 39.3 t-20 -50.58 153.44 1.63 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.206 0.527 . . . . 0.0 110.135 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.536 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 74.0 m -57.23 -23.11 45.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.627 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.26 -41.52 97.07 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.341 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -69.74 -39.45 76.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -62.18 -42.41 99.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.509 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.73 -42.29 99.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.856 0.36 . . . . 0.0 110.564 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.41 -41.07 96.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.345 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.6 -40.18 96.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.571 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.75 -41.05 97.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.4 -41.15 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.817 0.817 . . . . 0.0 110.324 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.25 -37.46 71.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.484 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -60.33 -42.42 95.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 18.8 ptpt -69.88 -33.23 71.96 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.785 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 112' ' ' LYS . . . -60.83 -41.74 96.37 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.561 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 49.3 mm -69.97 -40.87 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.359 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.06 96.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.581 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.39 -40.63 97.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.544 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.6 t -62.81 -40.09 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.232 0.539 . . . . 0.0 110.361 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.15 -35.42 79.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.444 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -70.87 -28.03 64.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.573 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.6 m -86.77 -14.92 40.9 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.564 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 45.8 t -60.57 -39.51 88.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.25 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -57.14 148.36 51.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.864 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.79 150.57 78.94 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.593 2.195 . . . . 0.0 112.159 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 83.1 p -74.15 164.38 26.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.476 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 125' ' ' ASP . 44.9 p-10 -58.49 127.56 32.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.72 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.69 78.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.735 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.623 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 74.1 m -73.81 -21.26 60.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.632 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.85 -10.69 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.383 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.43 ' O ' ' OD2' ' A' ' 125' ' ' ASP . 63.7 p -80.77 158.58 25.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -76.52 139.33 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.507 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 99.1 p . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.518 179.915 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.13 149.87 65.15 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.641 2.227 . . . . 0.0 111.77 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 60.1 tp -134.18 129.16 35.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.223 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 119.81 86.84 1.01 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 35.7 t -68.79 140.28 55.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.88 0.371 . . . . 0.0 110.613 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -66.77 153.16 44.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.563 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -68.16 152.49 45.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.319 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.03 130.42 34.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.541 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.57 171.18 11.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.728 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -56.95 143.01 39.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.308 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 79' ' ' MET . 0.6 OUTLIER -69.65 131.62 44.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.412 -179.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.2 p -78.39 164.48 24.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.687 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -61.98 -34.98 77.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.07 -37.15 83.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.649 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -64.75 -40.46 95.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.598 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.01 -41.63 99.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 89' ' ' LEU . 84.1 t80 -61.88 -46.95 87.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.506 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.03 89.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.22 -41.87 97.6 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.38 96.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.98 0.419 . . . . 0.0 110.473 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 85' ' ' PHE . 91.0 mt -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 110.398 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -63.33 -40.08 96.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.135 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.89 -41.0 99.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.5 m -63.1 -40.52 97.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.205 0.526 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.02 -39.93 95.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.478 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 95.5 mm-40 -63.26 -39.6 95.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.82 -39.94 90.87 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.263 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -63.23 -38.93 93.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.09 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.53 -18.86 39.99 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.478 ' OE2' ' O ' ' A' ' 94' ' ' GLN . 0.4 OUTLIER -88.71 10.34 21.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.108 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 96' ' ' ALA . 60.5 t -61.53 136.84 24.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.137 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -55.01 123.91 15.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.509 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.2 m -67.78 -21.51 65.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.399 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -61.03 -29.81 69.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.335 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.71 -42.86 98.06 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -66.43 -40.84 89.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.988 0.423 . . . . 0.0 110.294 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' O ' HD13 ' A' ' 109' ' ' LEU . 98.6 mt-10 -63.5 -39.57 94.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.52 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -61.17 -40.6 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.444 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.56 -42.26 98.57 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.021 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.17 -41.84 99.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 105' ' ' GLU . 7.6 mp -62.53 -40.06 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.142 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.0 -40.78 98.78 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.425 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -63.39 -41.29 98.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.68 -42.36 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.52 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.77 92.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.614 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.72 -44.1 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.35 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.06 92.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.937 0.399 . . . . 0.0 110.537 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.73 -38.81 92.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.8 p -63.45 -38.28 90.52 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.609 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.2 mp -71.3 -34.29 70.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.061 0.457 . . . . 0.0 110.18 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 119' ' ' ASN . 60.7 t-20 -67.84 -26.11 65.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 t -75.7 -9.63 58.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.689 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 m 66.52 85.06 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 29.6 tpt85 -129.61 81.5 69.5 Favored Pre-proline 0 N--CA 1.464 0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.003 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -56.23 142.69 87.04 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.721 2.281 . . . . 0.0 111.922 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.3 t -63.48 148.73 47.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.397 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -57.73 144.83 36.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.36 -32.82 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.619 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 95.7 p -72.57 -18.24 61.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.787 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.85 12.03 1.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 110.409 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.419 HG23 ' OG ' ' A' ' 127' ' ' SER . 80.8 p -76.81 158.78 30.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -76.07 139.56 41.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.509 -179.791 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.401 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 59.0 Cg_endo -70.07 147.78 61.64 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.674 2.25 . . . . 0.0 111.804 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 63.0 mt -110.05 119.17 38.45 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.171 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.07 99.5 0.09 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 66.4 m -71.59 140.97 50.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 110.41 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -79.41 149.24 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -67.32 145.05 55.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.57 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 92.2 mt -76.68 130.6 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.492 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 146.1 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.91 140.16 58.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 61.7 mtt -71.1 145.06 50.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.3 p -74.64 161.48 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.94 -43.83 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.62 -40.91 98.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -43.59 98.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.38 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.54 -42.8 99.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.504 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.514 ' CE2' HD11 ' A' ' 89' ' ' LEU . 59.4 t80 -62.34 -44.82 95.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.47 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.82 95.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.04 -40.36 97.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.23 96.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.047 0.451 . . . . 0.0 110.211 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 85' ' ' PHE . 87.8 mt -65.63 -37.39 86.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.856 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -62.76 -41.06 99.04 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.063 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.6 mtt -64.2 -41.36 97.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 0.0 110.309 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.495 ' CB ' HH12 ' A' ' 111' ' ' ARG . 74.8 m -65.72 -39.4 91.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.895 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -63.17 -41.61 99.26 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -62.97 -43.2 99.45 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.543 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.54 -37.25 74.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.836 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.66 -27.44 69.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.768 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -63.19 -26.11 68.65 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -90.81 -5.99 54.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.113 0.482 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.5 t -82.61 139.51 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.73 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -55.57 154.58 6.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.305 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.3 t -59.91 -44.26 94.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.138 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -68.33 -42.01 79.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.904 0.383 . . . . 0.0 110.765 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -68.24 -39.18 82.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.084 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -61.81 -41.33 97.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.322 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.79 -46.37 89.85 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.405 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -68.77 -42.09 77.91 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.586 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -64.23 -40.66 96.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.588 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.96 -45.0 95.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.598 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.91 -42.87 97.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.495 HH12 ' CB ' ' A' ' 92' ' ' SER . 11.7 tpt180 -61.49 -40.36 94.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.339 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -61.91 -40.76 96.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.81 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.57 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.601 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.7 mm -65.92 -45.5 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.73 98.96 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.28 -40.63 94.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.864 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.3 p -64.2 -38.82 92.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.924 0.393 . . . . 0.0 110.709 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.454 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 85.0 mt -68.31 -35.3 77.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -73.71 -27.64 61.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.431 . . . . 0.0 110.483 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 90.1 p -93.35 -5.34 49.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 118' ' ' LEU . 8.5 p -70.01 3.74 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.383 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 60.52 61.05 3.54 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.03 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.26 149.33 81.33 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.385 2.057 . . . . 0.0 112.144 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 t -63.77 145.34 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.486 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -61.2 149.21 38.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.597 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.92 65.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.508 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.619 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 21.7 t -73.72 -12.06 60.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.597 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.86 -4.06 1.97 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.444 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 58.7 p -80.6 158.5 25.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -78.87 138.04 37.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.522 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.439 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.24 -23.72 44.82 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.769 2.313 . . . . 0.0 111.95 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 67.9 mt 45.59 -157.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.18 1.66 90.11 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 80.4 p -70.67 158.9 35.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.818 0.342 . . . . 0.0 110.587 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 74' ' ' ARG . 9.1 ptm85 -69.93 152.01 44.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.45 153.29 41.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.621 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.48 132.89 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.35 53.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.516 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -70.73 136.82 49.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.447 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 80.0 mtm -85.52 149.31 25.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -74.23 159.57 32.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -62.54 -41.13 98.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.33 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.7 -41.54 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.545 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -64.3 -42.36 96.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -63.5 -41.96 98.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CZ ' HD11 ' A' ' 89' ' ' LEU . 91.6 t80 -61.24 -47.04 87.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.86 90.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.374 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.88 -40.92 98.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -179.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -40.99 96.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.195 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.419 HD11 ' CZ ' ' A' ' 85' ' ' PHE . 8.7 mp -64.67 -40.12 94.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -63.0 -41.23 99.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.506 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.4 -41.1 85.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.68 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 72.6 m -64.22 -38.38 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.35 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.42 -42.85 99.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.411 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.99 -42.0 99.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.69 -35.95 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.297 0.57 . . . . 0.0 110.591 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.505 ' HB1' ' HG2' ' A' ' 104' ' ' GLU . . . -60.75 -37.0 80.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.06 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.86 -27.69 69.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.565 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -89.45 -14.99 34.14 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.113 0.483 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 50.5 t -82.33 152.19 4.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.888 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -53.89 151.37 6.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.201 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.8 m -60.55 -43.85 96.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.849 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -65.65 -42.2 91.69 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.268 0.556 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -70.7 -37.5 73.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.505 ' HG2' ' HB1' ' A' ' 96' ' ' ALA . 16.5 tm-20 -62.59 -41.52 99.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.443 -179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.67 -41.66 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.272 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.27 -38.83 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.477 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.62 -37.55 87.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.292 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.425 ' OE2' ' OE2' ' A' ' 104' ' ' GLU . 95.0 mt-10 -61.01 -45.09 96.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.438 ' N ' HD22 ' A' ' 109' ' ' LEU . 4.1 mm? -68.16 -39.97 82.45 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.605 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.39 -44.18 95.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.529 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.415 HH21 ' CG ' ' A' ' 108' ' ' GLU . 90.0 mtm180 -66.13 -39.83 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -61.17 -43.82 98.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.05 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.42 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.7 mm -63.59 -45.58 97.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.792 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.23 97.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.38 -40.75 98.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 72.8 m -64.32 -39.67 94.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.25 -35.88 78.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.906 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -78.34 -19.29 53.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.759 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.0 p -90.38 1.39 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.64 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.98 -117.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.638 ' N ' ' CD ' ' A' ' 123' ' ' PRO . 28.2 ttm-85 -69.51 -40.16 13.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.567 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 122' ' ' ARG . 49.9 Cg_exo -57.33 140.15 92.17 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.59 2.193 . . . . 0.0 112.119 -179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 87.4 p -72.37 160.57 32.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.622 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 126' ' ' ALA . 66.9 t0 -67.36 135.61 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.753 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.462 ' N ' ' OD1' ' A' ' 125' ' ' ASP . . . -60.53 -34.34 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.463 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 96.3 p -73.67 -19.17 60.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.347 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.76 -47.51 0.42 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.4 p -86.5 158.51 19.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -90.06 135.24 33.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.415 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.516 -179.896 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -57.67 142.28 95.76 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.929 2.42 . . . . 0.0 111.938 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 64.6 mt 54.3 -130.89 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.96 1.39 90.64 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 30.2 t -63.87 143.69 57.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 110.393 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -60.77 133.2 55.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.619 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -60.59 147.56 41.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.534 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.3 mm -92.55 130.52 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.375 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.06 166.7 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.429 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -56.53 127.39 31.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.307 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 79' ' ' MET . 3.3 mpp? -83.11 140.16 32.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.601 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.3 p -76.42 165.06 25.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -61.66 -42.63 99.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -63.09 -40.15 96.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.591 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -63.15 -42.71 99.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.137 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.95 -40.42 96.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.773 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' HD11 ' A' ' 89' ' ' LEU . 78.0 t80 -61.31 -46.48 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.441 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.49 90.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.45 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.6 -42.2 98.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.135 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.1 89.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 85' ' ' PHE . 86.9 mt -63.29 -39.76 95.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -63.83 -38.82 92.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.133 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.2 mmm -61.94 -41.56 98.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.397 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.4 m -63.45 -40.16 96.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.35 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.95 -40.43 96.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.082 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -61.74 -39.18 90.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.162 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.28 -41.4 96.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.924 0.392 . . . . 0.0 110.392 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.93 -38.01 79.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.099 0.476 . . . . 0.0 110.54 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -68.64 -18.92 64.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.845 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -73.55 -13.68 61.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 110.707 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.6 t -81.58 128.24 38.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.092 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -84.5 120.88 26.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.947 0.403 . . . . 0.0 110.667 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.5 m -75.11 -27.66 59.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.336 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -68.87 -36.32 77.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.1 -44.08 97.91 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.689 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.11 -36.57 66.77 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.573 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.64 -43.1 94.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.368 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.7 -40.24 96.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.341 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.69 -40.4 94.86 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.667 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.11 -41.98 99.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.976 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.03 -41.24 82.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.05 0.452 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.44 -40.35 93.15 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.354 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -61.74 -40.86 96.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' A' ' 116' ' ' GLU . 26.5 ttpp -62.37 -42.47 99.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.72 91.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.54 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.27 -44.48 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 110.135 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.7 -39.02 87.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.592 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 112' ' ' LYS . 98.6 mt-10 -62.46 -38.37 89.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.615 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -62.6 -42.3 99.49 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.328 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.2 mm? -70.61 -34.11 71.78 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.537 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.417 ' OD1' ' O ' ' A' ' 119' ' ' ASN . 45.4 t-20 -67.99 -28.75 67.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.568 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.8 p -88.95 -16.19 32.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.399 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 20.2 t 42.38 68.27 0.5 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 41.7 mtm105 -68.1 148.44 98.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.81 145.52 69.11 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.53 2.154 . . . . 0.0 112.163 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.7 t -72.69 145.27 47.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.478 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 39.6 p-10 -77.58 121.53 24.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.712 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.86 79.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 36.3 t -74.06 -23.46 59.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.714 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 79.21 0.57 2.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.235 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.6 p -82.75 159.01 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.515 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -87.45 125.36 34.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.134 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.502 179.924 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.77 145.22 62.19 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.868 2.379 . . . . 0.0 111.925 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' -2' ' ' LEU . 9.8 mp -63.82 -41.72 97.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 68.42 30.38 73.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.8 p -67.2 157.73 33.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.525 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -72.13 150.31 43.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -60.28 146.51 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.388 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.2 mt -78.81 128.96 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.46 162.06 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.593 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -73.84 132.72 42.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.41 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.3 141.71 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.1 p -77.81 162.92 26.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.47 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.86 -41.46 99.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.708 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.07 -40.69 96.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.767 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -62.95 -41.65 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.93 -47.27 85.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.77 82.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.403 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.45 -41.05 96.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.429 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.01 94.21 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.537 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 89' ' ' LEU . 4.2 mm? -65.75 -40.06 91.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.807 179.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -63.51 -40.84 98.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.341 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 97.4 mtp -62.72 -40.56 97.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.7 p -63.62 -39.34 94.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.087 0.47 . . . . 0.0 110.479 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.56 -39.45 93.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.21 -39.25 94.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.377 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.89 -42.79 98.69 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.352 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -64.33 -38.82 92.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 110.57 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.9 mtp-105 -71.31 -19.64 62.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -79.22 2.98 19.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 96' ' ' ALA . 88.4 t -71.08 129.1 34.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.2 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -84.78 120.79 26.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.134 0.492 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.0 t -65.33 -24.24 67.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.451 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -60.6 -34.42 74.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.51 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.37 -42.43 98.69 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.994 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.78 -42.19 82.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.142 0.496 . . . . 0.0 110.567 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -62.7 -32.11 73.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.334 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.9 -35.14 70.62 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.245 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.12 -40.66 94.6 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' CD ' ' N ' ' A' ' 108' ' ' GLU . 1.2 mp0 -64.65 -39.39 93.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.97 -40.77 96.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.797 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.3 -42.98 99.11 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.402 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.31 -42.53 99.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.21 -39.82 89.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.698 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.43 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.9 -46.13 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.286 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.2 98.84 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.82 -40.12 95.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.715 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 90.7 p -63.91 -39.48 94.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.35 -35.92 78.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.34 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -79.29 -24.49 42.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.53 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.2 t -78.42 -18.92 54.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 43.8 m 51.65 -145.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.441 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.45 ' CB ' ' CD ' ' A' ' 123' ' ' PRO . 11.5 mtm105 -160.06 -62.7 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.133 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.45 ' CD ' ' CB ' ' A' ' 122' ' ' ARG . 36.9 Cg_endo -61.8 142.68 94.49 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.24 1.96 . . . . 0.0 112.344 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -71.96 147.23 47.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.41 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.04 134.93 57.43 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.418 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.07 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.783 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.637 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 82.5 p -74.62 -21.34 59.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.37 -25.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 127' ' ' SER . 96.4 m -74.91 130.09 38.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -87.89 126.96 35.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.336 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.451 179.62 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' -2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.39 19.39 0.38 Allowed 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.71 2.273 . . . . 0.0 112.028 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' -4' ' ' GLY . 94.4 mt -60.96 -39.29 89.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.464 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 70.77 29.81 69.01 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 73.0 m -60.72 142.48 55.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.5 ttp-105 -74.32 137.42 42.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.702 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -67.45 148.56 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.458 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.0 mt -79.48 125.84 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.02 152.57 29.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -68.59 131.2 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.2 mmt -88.11 140.18 29.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.1 p -78.07 162.9 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.502 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' GLU . 22.3 pt-20 -62.94 -40.8 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' N ' ' CG ' ' A' ' 81' ' ' GLU . 98.9 mt-10 -64.72 -40.86 96.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.542 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.63 -40.57 92.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -61.51 -40.76 95.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.419 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 89' ' ' LEU . 91.7 t80 -61.5 -46.88 88.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.54 93.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.7 -39.23 93.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.719 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.55 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.32 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.485 HD11 ' CE2' ' A' ' 85' ' ' PHE . 86.7 mt -64.4 -38.88 92.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.081 0.467 . . . . 0.0 110.44 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -64.55 -39.07 93.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 90.4 mmm -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 88.0 p -63.2 -39.62 95.15 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.279 0.562 . . . . 0.0 110.417 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.83 -39.58 93.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.431 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.7 -39.38 93.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.88 -41.5 96.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.109 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.82 78.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.278 0.561 . . . . 0.0 110.712 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -71.93 -17.07 62.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -74.46 -4.48 36.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.81 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.5 t -72.07 129.0 35.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -84.45 120.39 26.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.184 0.516 . . . . 0.0 110.708 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.9 t -74.9 -26.2 59.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.545 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.54 -36.97 82.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.655 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.2 -42.31 98.37 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.184 -179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.75 -40.3 88.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.057 0.456 . . . . 0.0 110.485 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.55 -39.44 91.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.06 -42.4 98.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.399 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.26 -41.6 98.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.481 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.9 -42.22 97.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.515 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.33 -39.38 92.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.464 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.21 -43.69 98.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -63.4 -40.89 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -63.76 -43.06 97.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.535 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.13 94.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.579 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.11 -45.64 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.429 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.44 97.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' SER . 97.9 mt-10 -63.77 -38.61 91.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 67.4 m -62.3 -40.1 95.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.722 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mp -77.31 -33.46 55.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.546 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -83.13 -20.28 35.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.765 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 116' ' ' GLU . 80.1 p -85.59 3.88 38.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.693 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 29.3 p -144.03 147.02 33.27 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.465 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 31.3 ttp-105 -171.86 74.72 0.49 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -56.94 139.91 90.84 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.589 2.193 . . . . 0.0 112.068 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 40.2 t -75.51 145.11 41.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.682 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.39 146.68 54.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.461 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.8 -34.27 75.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.748 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.635 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 88.4 p -74.92 -11.13 60.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.813 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 78.96 -11.53 1.2 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 62.9 p -78.96 159.0 27.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.485 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -98.53 127.11 44.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.539 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.662 -179.869 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 52.8 Cg_exo -56.54 138.84 86.05 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.609 2.206 . . . . 0.0 111.871 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 5.2 tp 52.14 8.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.721 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' -3' ' ' PRO . . . 81.75 3.89 90.48 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.4 t -62.81 139.77 58.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.699 0.285 . . . . 0.0 110.505 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -67.23 129.29 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -64.37 153.16 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.487 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 76' ' ' ILE . 2.1 mp -79.41 127.23 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.4 146.19 55.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.067 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -66.15 145.97 55.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.9 mtp -73.11 144.65 46.9 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.424 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -75.06 163.49 27.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.409 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.04 -38.45 88.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.774 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.79 -42.47 97.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.811 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.14 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.686 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -62.25 -40.47 96.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.454 ' CE2' HD11 ' A' ' 89' ' ' LEU . 80.8 t80 -61.16 -46.27 91.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.447 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.67 95.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.24 -37.3 86.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.223 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.08 95.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.282 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.454 HD11 ' CE2' ' A' ' 85' ' ' PHE . 92.9 mt -64.48 -39.15 93.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -63.69 -41.19 98.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.443 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.5 mmt -64.36 -40.12 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -41.33 98.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.47 -39.51 94.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.456 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.71 -42.36 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.614 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -71.41 -30.45 66.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.474 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.54 -20.34 65.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -63.36 -25.3 68.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.577 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -75.77 -13.33 60.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.2 t -82.25 135.83 24.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.613 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.86 151.04 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.315 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.3 m -60.64 -41.8 95.64 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.993 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.475 ' O ' ' OE1' ' A' ' 106' ' ' GLU . 8.9 pt20 -61.11 -41.99 97.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.501 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -71.31 -34.29 70.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.391 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -61.52 -32.84 72.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.693 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.69 -43.37 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.84 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' A' ' 102' ' ' GLN . 60.3 mp0 -67.51 -39.86 85.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 110.488 179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.11 -39.32 93.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.484 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -62.74 -40.78 98.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.66 -41.1 98.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.576 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.7 mt -67.9 -40.14 83.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.639 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -64.38 -39.02 93.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.561 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -62.5 -42.33 99.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.481 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.27 96.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.955 0.407 . . . . 0.0 110.665 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.92 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.99 93.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.513 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.11 -40.1 96.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.2 m -63.72 -39.82 95.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.651 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.18 -36.5 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.587 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -73.6 -27.68 61.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.783 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.8 m -88.73 -10.93 46.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.9 t 63.18 -174.56 0.15 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.433 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -100.07 153.65 37.65 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.582 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.71 141.75 74.89 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.888 1.725 . . . . 0.0 111.934 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 t -63.63 149.31 46.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.432 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -53.79 128.5 30.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.58 76.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.52 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 128' ' ' ALA . 72.1 m -74.06 -22.7 59.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.654 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 127' ' ' SER . . . 77.61 -36.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.414 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.426 ' H ' ' C ' ' A' ' 127' ' ' SER . 92.9 m -93.21 123.78 36.72 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.174 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -76.84 136.88 38.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.525 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.442 179.855 . . . . . . . . 0 0 . 1 stop_ save_